4-ethylsulfanyl-N-propan-2-ylbutan-2-amine

C9H21NS — CID 115906033

IUPAC4-ethylsulfanyl-N-propan-2-ylbutan-2-amine
SMILESCCSCCC(C)NC(C)C
InChIInChI=1S/C9H21NS/c1-5-11-7-6-9(4)10-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyQJJJSQJQJDRMJH-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.52
Rot. Bonds6

About 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine

4-ethylsulfanyl-N-propan-2-ylbutan-2-amine (PubChem CID 115906033) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-N-propan-2-ylbutan-2-amine
PubChem CID115906033
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name4-ethylsulfanyl-N-propan-2-ylbutan-2-amine
SMILESCCSCCC(C)NC(C)C
InChIInChI=1S/C9H21NS/c1-5-11-7-6-9(4)10-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyQJJJSQJQJDRMJH-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.52
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-(4-ethylsulfanylbutan-2-yl)-4-methylpentan-2-amine
CID 115725466
N-(4-ethylsulfanylbutan-2-yl)-1-methoxybutan-2-amine
CID 115725549
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
CID 115725476
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725556
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470
3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116504477
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725535

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine (CID 115906033) is 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine is CCSCCC(C)NC(C)C.
What is the InChIKey of 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine?
The InChIKey is QJJJSQJQJDRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-11-7-6-9(4)10-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine?
4-ethylsulfanyl-N-propan-2-ylbutan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 115906033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).