5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106028590

IUPAC5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)10-12(3)17-21(18,19)15-7-6-14(20-15)8-9-16-13-4-5-13/h6-7,11-13,16-17H,4-5,8-10H2,1-3H3
InChIKeyQDKGAQKHZQUFPJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.76
Rot. Bonds9

About 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 106028590) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID106028590
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)10-12(3)17-21(18,19)15-7-6-14(20-15)8-9-16-13-4-5-13/h6-7,11-13,16-17H,4-5,8-10H2,1-3H3
InChIKeyQDKGAQKHZQUFPJ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylethyl)-5-[2-(cyclopropylamino)ethyl]thiophene-2-sulfonamide
CID 106084827
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
CID 114414087
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (CID 106028590) is 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is CC(C)CC(C)NS(=O)(=O)c1ccc(CCNC2CC2)s1.
What is the InChIKey of 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is QDKGAQKHZQUFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)10-12(3)17-21(18,19)15-7-6-14(20-15)8-9-16-13-4-5-13/h6-7,11-13,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106028590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).