N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106063918

IUPACN-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-13(9-12-5-6-12)17-21(18,19)15-8-7-14(20-15)10-16-11(2)3/h7-8,11-13,16-17H,4-6,9-10H2,1-3H3
InChIKeyKDEQVVKXIOTORU-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds9

About N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106063918) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106063918
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(CNC(C)C)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-13(9-12-5-6-12)17-21(18,19)15-8-7-14(20-15)10-16-11(2)3/h7-8,11-13,16-17H,4-6,9-10H2,1-3H3
InChIKeyKDEQVVKXIOTORU-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 106083800
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106063918) is N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccc(CNC(C)C)s1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is KDEQVVKXIOTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-13(9-12-5-6-12)17-21(18,19)15-8-7-14(20-15)10-16-11(2)3/h7-8,11-13,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106063918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).