N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine

C8H21NS — CID 129270973

IUPACN-[butyl(dimethyl)-λ4-sulfanyl]ethanamine
SMILESCCCCS(C)(C)NCC
InChIInChI=1S/C8H21NS/c1-5-7-8-10(3,4)9-6-2/h9H,5-8H2,1-4H3
InChIKeyIKLDUIIQKWSREJ-UHFFFAOYSA-N
MW163.33 g/mol
LogP2.38
Rot. Bonds5

About N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine

N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine (PubChem CID 129270973) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[butyl(dimethyl)-λ4-sulfanyl]ethanamine
PubChem CID129270973
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC NameN-[butyl(dimethyl)-λ4-sulfanyl]ethanamine
SMILESCCCCS(C)(C)NCC
InChIInChI=1S/C8H21NS/c1-5-7-8-10(3,4)9-6-2/h9H,5-8H2,1-4H3
InChIKeyIKLDUIIQKWSREJ-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine 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

butyl-heptyl-dimethyl-λ4-sulfane
CID 123547553
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
butyl-methyl-methylidene-oxo-λ6-sulfane
CID 87419750
CID 175918224
CID 175918224
trihexyl(methyl)-λ4-sulfane
CID 138739733
N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
CID 123866040
CID 172750944
CID 172750944
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
N-decylbutane-1-sulfonamide
CID 19681427
CID 175738153
CID 175738153
heptyl(trimethyl)-λ4-sulfane
CID 155014090
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218

Frequently Asked Questions

What is the IUPAC name of N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine?
The IUPAC name of N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine (CID 129270973) is N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine?
The canonical SMILES for N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine is CCCCS(C)(C)NCC.
What is the InChIKey of N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine?
The InChIKey is IKLDUIIQKWSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NS/c1-5-7-8-10(3,4)9-6-2/h9H,5-8H2,1-4H3.
What are the key properties of N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine?
N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine has a molecular weight of 163.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 129270973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).