N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride

C17H27ClN2O4S — CID 154898460

IUPACN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14;/h2,5,13-16,18H,3-4,6-11H2,1H3;1H/t15-,16-;/m0./s1
InChIKeyBBYAEHBLGGCKPM-MOGJOVFKSA-N
MW390.93 g/mol
LogP2.04
Rot. Bonds5

About N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride

N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride (PubChem CID 154898460) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
PubChem CID154898460
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC NameN-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
SMILESCc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14;/h2,5,13-16,18H,3-4,6-11H2,1H3;1H/t15-,16-;/m0./s1
InChIKeyBBYAEHBLGGCKPM-MOGJOVFKSA-N
XLogP2.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
CID 70722066
N-(2-hydroxycyclohexyl)oxane-4-sulfonamide
CID 55064030
(3S,4R)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 162470985
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 166790458
3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine
CID 121183207
(3R,4S)-3-(2,4-difluorophenyl)-4-methyl-1-(oxan-4-yl)pyrrolidine
CID 70966130
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166790395
(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 99957203
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
CID 72922179
(3R,4S)-N,N-dimethyl-4-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidin-3-amine
CID 72864288
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-4-methoxyoxolane-3-sulfonamide
CID 167789886

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride (CID 154898460) is N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride is Cc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1.Cl.
What is the InChIKey of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
The InChIKey is BBYAEHBLGGCKPM-MOGJOVFKSA-N. The full InChI is InChI=1S/C17H26N2O4S.ClH/c1-12-2-5-17(23-12)15-10-19(13-6-8-22-9-7-13)11-16(15)18-24(20,21)14-3-4-14;/h2,5,13-16,18H,3-4,6-11H2,1H3;1H/t15-,16-;/m0./s1.
What are the key properties of N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride?
N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride is sourced from PubChem (CID 154898460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).