N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106065988

IUPACN-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1csc(S(=O)(=O)NC(C)C2CCCC2)c1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)16-9-13-8-15(20-10-13)21(18,19)17-12(3)14-6-4-5-7-14/h8,10-12,14,16-17H,4-7,9H2,1-3H3
InChIKeyVLJOYOLYQCHWGL-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds7

About N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106065988) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106065988
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1csc(S(=O)(=O)NC(C)C2CCCC2)c1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)16-9-13-8-15(20-10-13)21(18,19)17-12(3)14-6-4-5-7-14/h8,10-12,14,16-17H,4-7,9H2,1-3H3
InChIKeyVLJOYOLYQCHWGL-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
4-[(propan-2-ylamino)methyl]-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051299
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106084740
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106080531
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106065988) is N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CC(C)NCc1csc(S(=O)(=O)NC(C)C2CCCC2)c1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is VLJOYOLYQCHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)16-9-13-8-15(20-10-13)21(18,19)17-12(3)14-6-4-5-7-14/h8,10-12,14,16-17H,4-7,9H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106065988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).