[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

C11H20ClN3O3S — CID 120582142

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl
InChIInChI=1S/C11H19N3O3S.ClH/c1-7-4-10(5-12)6-14(7)18(15,16)11-8(2)13-17-9(11)3;/h7,10H,4-6,12H2,1-3H3;1H
InChIKeyYKPCIWNARQKGCL-UHFFFAOYSA-N
MW309.82 g/mol
LogP1.07
Rot. Bonds3

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120582142) has the molecular formula C11H20ClN3O3S and a molecular weight of 309.82 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120582142
Molecular FormulaC11H20ClN3O3S
Molecular Weight309.82 g/mol
Exact Mass309.09
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl
InChIInChI=1S/C11H19N3O3S.ClH/c1-7-4-10(5-12)6-14(7)18(15,16)11-8(2)13-17-9(11)3;/h7,10H,4-6,12H2,1-3H3;1H
InChIKeyYKPCIWNARQKGCL-UHFFFAOYSA-N
XLogP1.07
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582216
(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 35406723
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56755686
[5-methyl-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582154
[5-methyl-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582130
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
[1-(4-bromophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582271
[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582073

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120582142) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CC(CN)CC1C.Cl.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is YKPCIWNARQKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S.ClH/c1-7-4-10(5-12)6-14(7)18(15,16)11-8(2)13-17-9(11)3;/h7,10H,4-6,12H2,1-3H3;1H.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120582142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).