1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide

C13H22N2O2S2 — CID 106053417

IUPAC1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide
SMILESCCC(NS(=O)(=O)C(C)CNC1CC1)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-8-18-13)15-19(16,17)10(2)9-14-11-6-7-11/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3
InChIKeyDAFIJBVVYSASPU-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.26
Rot. Bonds8

About 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide (PubChem CID 106053417) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide
PubChem CID106053417
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide
SMILESCCC(NS(=O)(=O)C(C)CNC1CC1)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-8-18-13)15-19(16,17)10(2)9-14-11-6-7-11/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3
InChIKeyDAFIJBVVYSASPU-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(1-phenylpropyl)propane-2-sulfonamide
CID 106055064
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 131905448
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide (CID 106053417) is 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide is CCC(NS(=O)(=O)C(C)CNC1CC1)c1cccs1.
What is the InChIKey of 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide?
The InChIKey is DAFIJBVVYSASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-12(13-5-4-8-18-13)15-19(16,17)10(2)9-14-11-6-7-11/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide has a molecular weight of 302.46 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 106053417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).