N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine

C10H24ClNS — CID 130246449

IUPACN-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine
SMILESCCCCN(CCCC)S(C)(C)Cl
InChIInChI=1S/C10H24ClNS/c1-5-7-9-12(10-8-6-2)13(3,4)11/h5-10H2,1-4H3
InChIKeyGXKWGFJOXBEWRE-UHFFFAOYSA-N
MW225.83 g/mol
LogP4.02
Rot. Bonds7

About N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine

N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine (PubChem CID 130246449) has the molecular formula C10H24ClNS and a molecular weight of 225.83 g/mol. Its IUPAC name is N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine
PubChem CID130246449
Molecular FormulaC10H24ClNS
Molecular Weight225.83 g/mol
Exact Mass225.13
IUPAC NameN-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine
SMILESCCCCN(CCCC)S(C)(C)Cl
InChIInChI=1S/C10H24ClNS/c1-5-7-9-12(10-8-6-2)13(3,4)11/h5-10H2,1-4H3
InChIKeyGXKWGFJOXBEWRE-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N-(3-bromopropyl)-N-butylmethanesulfonamide
CID 138921783
N-butyl-N-methylsulfamoyl chloride
CID 16770019
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dipentylethanesulfonamide
CID 3453334
N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
CID 63396851
nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
hexane;hypochlorous acid
CID 88775298
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine?
The IUPAC name of N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine (CID 130246449) is N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine is CCCCN(CCCC)S(C)(C)Cl.
What is the InChIKey of N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine?
The InChIKey is GXKWGFJOXBEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24ClNS/c1-5-7-9-12(10-8-6-2)13(3,4)11/h5-10H2,1-4H3.
What are the key properties of N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine?
N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine has a molecular weight of 225.83 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine is sourced from PubChem (CID 130246449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).