N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide

C14H22N2O4S2 — CID 135119672

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccsc1
InChIInChI=1S/C14H22N2O4S2/c1-16(2)22(18,19)10-12-7-20-8-13(12)15-14(17)4-3-11-5-6-21-9-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,15,17)/t12-,13+/m0/s1
InChIKeySZKLMDBYKCPPMK-QWHCGFSZSA-N
MW346.47 g/mol
LogP0.70
Rot. Bonds7

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 135119672) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID135119672
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccsc1
InChIInChI=1S/C14H22N2O4S2/c1-16(2)22(18,19)10-12-7-20-8-13(12)15-14(17)4-3-11-5-6-21-9-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,15,17)/t12-,13+/m0/s1
InChIKeySZKLMDBYKCPPMK-QWHCGFSZSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide
CID 135112135
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
CID 135106779
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
CID 135094246
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide (CID 135119672) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccsc1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is SZKLMDBYKCPPMK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-16(2)22(18,19)10-12-7-20-8-13(12)15-14(17)4-3-11-5-6-21-9-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,15,17)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 135119672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).