N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride

C16H26ClN3O4S — CID 119441800

IUPACN,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)N(C)C2CCNCC2)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12-15(24(21,22)19-9-3-4-10-19)11-14(23-12)16(20)18(2)13-5-7-17-8-6-13;/h11,13,17H,3-10H2,1-2H3;1H
InChIKeyGYRSBDSABFPEGJ-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.62
Rot. Bonds4

About N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride

N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride (PubChem CID 119441800) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
PubChem CID119441800
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC NameN,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
SMILESCc1oc(C(=O)N(C)C2CCNCC2)cc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12-15(24(21,22)19-9-3-4-10-19)11-14(23-12)16(20)18(2)13-5-7-17-8-6-13;/h11,13,17H,3-10H2,1-2H3;1H
InChIKeyGYRSBDSABFPEGJ-UHFFFAOYSA-N
XLogP1.62
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65371452
N-cyclopropyl-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65374093
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 60560153
2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride (CID 119441800) is N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride is Cc1oc(C(=O)N(C)C2CCNCC2)cc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride?
The InChIKey is GYRSBDSABFPEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-12-15(24(21,22)19-9-3-4-10-19)11-14(23-12)16(20)18(2)13-5-7-17-8-6-13;/h11,13,17H,3-10H2,1-2H3;1H.
What are the key properties of N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride?
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119441800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).