N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C14H22ClN5O4S — CID 137096132

IUPACN-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-10(15-2)7-13-17-14(23-18-13)12-8-11(9-16-12)24(20,21)19-3-5-22-6-4-19;/h8-10,15-16H,3-7H2,1-2H3;1H
InChIKeyVSONFPNAUQZMJR-UHFFFAOYSA-N
MW391.88 g/mol
LogP0.66
Rot. Bonds6

About N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 137096132) has the molecular formula C14H22ClN5O4S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID137096132
Molecular FormulaC14H22ClN5O4S
Molecular Weight391.88 g/mol
Exact Mass391.11
IUPAC NameN-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-10(15-2)7-13-17-14(23-18-13)12-8-11(9-16-12)24(20,21)19-3-5-22-6-4-19;/h8-10,15-16H,3-7H2,1-2H3;1H
InChIKeyVSONFPNAUQZMJR-UHFFFAOYSA-N
XLogP0.66
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 137133488
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
N-methyl-1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866066
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580
1-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866304
N-methyl-1-[5-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866812
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 47092131
1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868560

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 137096132) is N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is VSONFPNAUQZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S.ClH/c1-10(15-2)7-13-17-14(23-18-13)12-8-11(9-16-12)24(20,21)19-3-5-22-6-4-19;/h8-10,15-16H,3-7H2,1-2H3;1H.
What are the key properties of N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 391.88 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 137096132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).