N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide

C13H19NO3S2 — CID 95317371

IUPACN-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(C[C@@H]1CCOC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H19NO3S2/c15-19(16,10-12-3-5-17-8-12)14(13-1-2-13)7-11-4-6-18-9-11/h4,6,9,12-13H,1-3,5,7-8,10H2/t12-/m1/s1
InChIKeyZKOXGCNOJUIJDN-GFCCVEGCSA-N
MW301.43 g/mol
LogP2.08
Rot. Bonds6

About N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide

N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide (PubChem CID 95317371) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
PubChem CID95317371
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC NameN-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(C[C@@H]1CCOC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H19NO3S2/c15-19(16,10-12-3-5-17-8-12)14(13-1-2-13)7-11-4-6-18-9-11/h4,6,9,12-13H,1-3,5,7-8,10H2/t12-/m1/s1
InChIKeyZKOXGCNOJUIJDN-GFCCVEGCSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 164642999
N-cyclopropyl-1-(oxan-4-yl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 71997817
N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide
CID 98775245
N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 126451018
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812769
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide (CID 95317371) is N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide is O=S(=O)(C[C@@H]1CCOC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide?
The InChIKey is ZKOXGCNOJUIJDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3S2/c15-19(16,10-12-3-5-17-8-12)14(13-1-2-13)7-11-4-6-18-9-11/h4,6,9,12-13H,1-3,5,7-8,10H2/t12-/m1/s1.
What are the key properties of N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide?
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 95317371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).