1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide

C12H26N2O2S2 — CID 106093649

IUPAC1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
SMILESCSCCCCCNS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C12H26N2O2S2/c1-11(10-13-12-6-7-12)18(15,16)14-8-4-3-5-9-17-2/h11-14H,3-10H2,1-2H3
InChIKeyLASSFQJDYAHKNA-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.58
Rot. Bonds11

About 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide (PubChem CID 106093649) has the molecular formula C12H26N2O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
PubChem CID106093649
Molecular FormulaC12H26N2O2S2
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC Name1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
SMILESCSCCCCCNS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C12H26N2O2S2/c1-11(10-13-12-6-7-12)18(15,16)14-8-4-3-5-9-17-2/h11-14H,3-10H2,1-2H3
InChIKeyLASSFQJDYAHKNA-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.58
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

1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684
1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
CID 106090471
N-(6-methylsulfanylhexyl)-1-(propylamino)propane-2-sulfonamide
CID 106090470
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
CID 106079574
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
CID 106062024
1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide
CID 106094033
1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
CID 106068114
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide (CID 106093649) is 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide is CSCCCCCNS(=O)(=O)C(C)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide?
The InChIKey is LASSFQJDYAHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S2/c1-11(10-13-12-6-7-12)18(15,16)14-8-4-3-5-9-17-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide has a molecular weight of 294.49 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide is sourced from PubChem (CID 106093649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).