2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide

C15H22N2O2S2 — CID 102754543

IUPAC2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide
SMILESC#CCN(CCC)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C15H22N2O2S2/c1-4-8-17(9-5-2)21(18,19)15-12(3)11-20-14(15)10-16-13-6-7-13/h1,11,13,16H,5-10H2,2-3H3
InChIKeyLXRRSBLWFDTVCJ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.34
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide (PubChem CID 102754543) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide
PubChem CID102754543
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide
SMILESC#CCN(CCC)S(=O)(=O)c1c(C)csc1CNC1CC1
InChIInChI=1S/C15H22N2O2S2/c1-4-8-17(9-5-2)21(18,19)15-12(3)11-20-14(15)10-16-13-6-7-13/h1,11,13,16H,5-10H2,2-3H3
InChIKeyLXRRSBLWFDTVCJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
methyl 4-methyl-3-[propyl(prop-2-ynyl)sulfamoyl]thiophene-2-carboxylate
CID 102749123
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
CID 102754693
2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
CID 102750346
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
N-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide (CID 102754543) is 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide is C#CCN(CCC)S(=O)(=O)c1c(C)csc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide?
The InChIKey is LXRRSBLWFDTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-4-8-17(9-5-2)21(18,19)15-12(3)11-20-14(15)10-16-13-6-7-13/h1,11,13,16H,5-10H2,2-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide has a molecular weight of 326.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide is sourced from PubChem (CID 102754543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).