N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C14H24N2O2S2 — CID 106064252

IUPACN-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC2CCCC2C)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)15-9-12-7-8-14(19-12)20(17,18)16-13-6-4-5-11(13)3/h7-8,10-11,13,15-16H,4-6,9H2,1-3H3
InChIKeyLWANMHOLQYEGFJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.71
Rot. Bonds6

About N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106064252) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106064252
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC2CCCC2C)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)15-9-12-7-8-14(19-12)20(17,18)16-13-6-4-5-11(13)3/h7-8,10-11,13,15-16H,4-6,9H2,1-3H3
InChIKeyLWANMHOLQYEGFJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891
5-(2-aminoethyl)-N-(2-methoxycyclopentyl)thiophene-2-sulfonamide
CID 55033280
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106064252) is N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NC2CCCC2C)s1.
What is the InChIKey of N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is LWANMHOLQYEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10(2)15-9-12-7-8-14(19-12)20(17,18)16-13-6-4-5-11(13)3/h7-8,10-11,13,15-16H,4-6,9H2,1-3H3.
What are the key properties of N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106064252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).