N-(2-prop-2-enylsulfanylethyl)propan-2-amine

C8H17NS — CID 103921816

IUPACN-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)C
InChIInChI=1S/C8H17NS/c1-4-6-10-7-5-9-8(2)3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYSXBUGIRJKEIMH-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.90
Rot. Bonds6

About N-(2-prop-2-enylsulfanylethyl)propan-2-amine

N-(2-prop-2-enylsulfanylethyl)propan-2-amine (PubChem CID 103921816) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)propan-2-amine
PubChem CID103921816
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)C
InChIInChI=1S/C8H17NS/c1-4-6-10-7-5-9-8(2)3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYSXBUGIRJKEIMH-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 106425391
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
2-(Diisopropylamino)ethyl ethenyl sulfide
CID 91746851
N-(2-propan-2-ylsulfanylethyl)propan-2-amine
CID 59765707
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68318458
3-[(1Z)-buta-1,3-dienyl]sulfanyl-N-propan-2-ylpropan-1-amine
CID 138748672
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
2-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylethanamine;ethane
CID 142050363
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]sulfanyl-N-methylpropan-2-amine
CID 142873329
1-ethylsulfanyl-N-prop-1-en-2-ylbut-3-en-2-amine
CID 154973210
4-Methylsulfanylbutan-2-yl-bis(prop-2-enyl)azanium chloride
CID 161990354

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)propan-2-amine (CID 103921816) is N-(2-prop-2-enylsulfanylethyl)propan-2-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)propan-2-amine is C=CCSCCNC(C)C.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The InChIKey is YSXBUGIRJKEIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-6-10-7-5-9-8(2)3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
N-(2-prop-2-enylsulfanylethyl)propan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 103921816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).