N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine

C11H25NS — CID 115666824

IUPACN-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine
SMILESCCSCCCNC(C)C(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-13-9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeySYDKSZWZNCSUGK-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine

N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine (PubChem CID 115666824) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine
PubChem CID115666824
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine
SMILESCCSCCCNC(C)C(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-13-9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeySYDKSZWZNCSUGK-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
CID 115647762
(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid
CID 104863677
N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
CID 87166013
N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666749
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104863351
3-ethylsulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116503707
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747
4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
CID 115714185
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine (CID 115666824) is N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine is CCSCCCNC(C)C(C)(C)C.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine?
The InChIKey is SYDKSZWZNCSUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-13-9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine?
N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115666824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).