2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide

C15H24N2O2S2 — CID 106063961

IUPAC2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C15H24N2O2S2/c1-2-12(9-11-3-4-11)17-21(18,19)15-7-8-20-14(15)10-16-13-5-6-13/h7-8,11-13,16-17H,2-6,9-10H2,1H3
InChIKeyFSNKQFCYAINXHI-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.86
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 106063961) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID106063961
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C15H24N2O2S2/c1-2-12(9-11-3-4-11)17-21(18,19)15-7-8-20-14(15)10-16-13-5-6-13/h7-8,11-13,16-17H,2-6,9-10H2,1H3
InChIKeyFSNKQFCYAINXHI-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063931
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
2-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072832
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218686

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide (CID 106063961) is 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is FSNKQFCYAINXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-12(9-11-3-4-11)17-21(18,19)15-7-8-20-14(15)10-16-13-5-6-13/h7-8,11-13,16-17H,2-6,9-10H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).