N-butyl-N-propylsulfanylbutan-1-amine

C11H25NS — CID 3030904

IUPACN-butyl-N-propylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SCCC
InChIInChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3
InChIKeyHUTSOEQTRMMUFV-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.95
Rot. Bonds9

About N-butyl-N-propylsulfanylbutan-1-amine

N-butyl-N-propylsulfanylbutan-1-amine (PubChem CID 3030904) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-butyl-N-propylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-propylsulfanylbutan-1-amine
PubChem CID3030904
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-butyl-N-propylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SCCC
InChIInChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3
InChIKeyHUTSOEQTRMMUFV-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-(2-dipropylamino)ethanethiol
CID 79922
2-(Dibutylamino)ethanethiol
CID 79923
1-Propanethiol, 3-(dibutylamino)-
CID 3058095
N,N-dibutylthiohydroxylamine
CID 21163218
1-Propanesulfenamide, N,N-dipropyl-
CID 3030905
N-butyl-N-tert-butylsulfanylbutan-1-amine
CID 3028251
N,N-Dibutylhexanesulfenamide
CID 3028574
N-Ethyl-N-(propylsulfanyl)ethanamine
CID 13142419
N-butylsulfanyl-N-ethylethanamine
CID 13152232
2-[Butyl(2-sulfanylethyl)amino]ethanethiol
CID 15911424
N-propyl-N-(4,4,4-trifluorobutylsulfanyl)butan-1-amine
CID 141939406
N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine
CID 142121420

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propylsulfanylbutan-1-amine?
The IUPAC name of N-butyl-N-propylsulfanylbutan-1-amine (CID 3030904) is N-butyl-N-propylsulfanylbutan-1-amine.
What is the SMILES notation for N-butyl-N-propylsulfanylbutan-1-amine?
The canonical SMILES for N-butyl-N-propylsulfanylbutan-1-amine is CCCCN(CCCC)SCCC.
What is the InChIKey of N-butyl-N-propylsulfanylbutan-1-amine?
The InChIKey is HUTSOEQTRMMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3.
What are the key properties of N-butyl-N-propylsulfanylbutan-1-amine?
N-butyl-N-propylsulfanylbutan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propylsulfanylbutan-1-amine is sourced from PubChem (CID 3030904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).