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

C14H24N2O2S2 — CID 106004399

IUPAC4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C14H24N2O2S2/c1-12(11-14-5-4-9-19-14)16-20(17,18)10-3-2-8-15-13-6-7-13/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3
InChIKeyAJJMCEKFQYREBT-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.13
Rot. Bonds10

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

4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide (PubChem CID 106004399) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
PubChem CID106004399
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C14H24N2O2S2/c1-12(11-14-5-4-9-19-14)16-20(17,18)10-3-2-8-15-13-6-7-13/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3
InChIKeyAJJMCEKFQYREBT-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.13
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

2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide (CID 106004399) is 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide is CC(Cc1cccs1)NS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide?
The InChIKey is AJJMCEKFQYREBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-12(11-14-5-4-9-19-14)16-20(17,18)10-3-2-8-15-13-6-7-13/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 106004399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).