4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide

C14H26N2O2S2 — CID 106053238

IUPAC4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C14H26N2O2S2/c1-3-7-15-8-4-5-10-20(17,18)16-13(2)11-14-6-9-19-12-14/h6,9,12-13,15-16H,3-5,7-8,10-11H2,1-2H3
InChIKeyOVYTZTDNANPODA-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.38
Rot. Bonds11

About 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide

4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide (PubChem CID 106053238) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
PubChem CID106053238
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C14H26N2O2S2/c1-3-7-15-8-4-5-10-20(17,18)16-13(2)11-14-6-9-19-12-14/h6,9,12-13,15-16H,3-5,7-8,10-11H2,1-2H3
InChIKeyOVYTZTDNANPODA-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)propane-1-sulfonamide
CID 106053228
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
CID 106069012
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
CID 106062305
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide (CID 106053238) is 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide?
The InChIKey is OVYTZTDNANPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-3-7-15-8-4-5-10-20(17,18)16-13(2)11-14-6-9-19-12-14/h6,9,12-13,15-16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide?
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 106053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).