3-(dipentylamino)propane-1-sulfonyl chloride

C13H28ClNO2S — CID 112594628

IUPAC3-(dipentylamino)propane-1-sulfonyl chloride
SMILESCCCCCN(CCCCC)CCCS(=O)(=O)Cl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-18(14,16)17/h3-13H2,1-2H3
InChIKeyBVPUHXOBURZOKE-UHFFFAOYSA-N
MW297.89 g/mol
LogP3.63
Rot. Bonds12

About 3-(dipentylamino)propane-1-sulfonyl chloride

3-(dipentylamino)propane-1-sulfonyl chloride (PubChem CID 112594628) has the molecular formula C13H28ClNO2S and a molecular weight of 297.89 g/mol. Its IUPAC name is 3-(dipentylamino)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(dipentylamino)propane-1-sulfonyl chloride
PubChem CID112594628
Molecular FormulaC13H28ClNO2S
Molecular Weight297.89 g/mol
Exact Mass297.15
IUPAC Name3-(dipentylamino)propane-1-sulfonyl chloride
SMILESCCCCCN(CCCCC)CCCS(=O)(=O)Cl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-18(14,16)17/h3-13H2,1-2H3
InChIKeyBVPUHXOBURZOKE-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptane-1-sulfonyl chloride
CID 10878141
3-[dodecyl-[2-[dodecyl(3-sulfopropyl)amino]ethyl]amino]propane-1-sulfonic acid
CID 102039556
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
disodium;3-[2-[dodecyl(3-sulfonatopropyl)amino]ethyl-octylamino]propane-1-sulfonate
CID 102207374
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N-docosyl-N-icosyldocosan-1-amine
CID 23464225

Frequently Asked Questions

What is the IUPAC name of 3-(dipentylamino)propane-1-sulfonyl chloride?
The IUPAC name of 3-(dipentylamino)propane-1-sulfonyl chloride (CID 112594628) is 3-(dipentylamino)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(dipentylamino)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(dipentylamino)propane-1-sulfonyl chloride is CCCCCN(CCCCC)CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(dipentylamino)propane-1-sulfonyl chloride?
The InChIKey is BVPUHXOBURZOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO2S/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-18(14,16)17/h3-13H2,1-2H3.
What are the key properties of 3-(dipentylamino)propane-1-sulfonyl chloride?
3-(dipentylamino)propane-1-sulfonyl chloride has a molecular weight of 297.89 g/mol, XLogP of 3.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipentylamino)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).