N-butyl-N-phenylsulfanylbutan-1-amine

C14H23NS — CID 91484736

IUPACN-butyl-N-phenylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)Sc1ccccc1
InChIInChI=1S/C14H23NS/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyWFBALFGSGSAJQB-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.60
Rot. Bonds8

About N-butyl-N-phenylsulfanylbutan-1-amine

N-butyl-N-phenylsulfanylbutan-1-amine (PubChem CID 91484736) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-butyl-N-phenylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-phenylsulfanylbutan-1-amine
PubChem CID91484736
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-butyl-N-phenylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)Sc1ccccc1
InChIInChI=1S/C14H23NS/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyWFBALFGSGSAJQB-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N-phenylsulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-(2-phenylsulfanylethyl)butan-1-amine
CID 80673627
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 56610274
ethane;1-[phenylsulfanyl(propyl)amino]ethanol
CID 177142250
N,N-dibutylbutan-1-amine;phenol
CID 172785095
methyl 4-[butyl(pent-4-enyl)amino]sulfanylbenzoate
CID 15129454
ethyl 2-bromo-3-[(2-bromo-3-ethoxy-3-oxopropyl)-phenylsulfanylamino]propanoate
CID 156520250
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
nickel;octylsulfanylbenzene
CID 157277722
N-methyl-N-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride
CID 3063330
[4-(dibutylamino)phenyl]-triphenylphosphanium
CID 102170052
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylsulfanylbutan-1-amine?
The IUPAC name of N-butyl-N-phenylsulfanylbutan-1-amine (CID 91484736) is N-butyl-N-phenylsulfanylbutan-1-amine.
What is the SMILES notation for N-butyl-N-phenylsulfanylbutan-1-amine?
The canonical SMILES for N-butyl-N-phenylsulfanylbutan-1-amine is CCCCN(CCCC)Sc1ccccc1.
What is the InChIKey of N-butyl-N-phenylsulfanylbutan-1-amine?
The InChIKey is WFBALFGSGSAJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-5-12-15(13-6-4-2)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of N-butyl-N-phenylsulfanylbutan-1-amine?
N-butyl-N-phenylsulfanylbutan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylsulfanylbutan-1-amine is sourced from PubChem (CID 91484736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).