5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide

C14H22N2O2S2 — CID 106091245

IUPAC5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(CNC2CC2)s1)C1CC1
InChIInChI=1S/C14H22N2O2S2/c1-14(2,10-3-4-10)16-20(17,18)13-8-7-12(19-13)9-15-11-5-6-11/h7-8,10-11,15-16H,3-6,9H2,1-2H3
InChIKeyYLTVEDAUFSNKQB-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.47
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 106091245) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID106091245
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(CNC2CC2)s1)C1CC1
InChIInChI=1S/C14H22N2O2S2/c1-14(2,10-3-4-10)16-20(17,18)13-8-7-12(19-13)9-15-11-5-6-11/h7-8,10-11,15-16H,3-6,9H2,1-2H3
InChIKeyYLTVEDAUFSNKQB-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide (CID 106091245) is 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide is CC(C)(NS(=O)(=O)c1ccc(CNC2CC2)s1)C1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is YLTVEDAUFSNKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-14(2,10-3-4-10)16-20(17,18)13-8-7-12(19-13)9-15-11-5-6-11/h7-8,10-11,15-16H,3-6,9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).