N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine

C8H17NS — CID 163669100

IUPACN-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SCCCNCC
InChIInChI=1S/C8H17NS/c1-4-9-6-5-7-10-8(2)3/h9H,2,4-7H2,1,3H3
InChIKeyJAYZQHGQDOGEFB-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine

N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine (PubChem CID 163669100) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
PubChem CID163669100
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SCCCNCC
InChIInChI=1S/C8H17NS/c1-4-9-6-5-7-10-8(2)3/h9H,2,4-7H2,1,3H3
InChIKeyJAYZQHGQDOGEFB-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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'-(2-propylsulfanylethyl)propane-1,3-diamine
CID 11240782
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
N-ethyl-3-prop-2-enylsulfinylpropan-1-amine
CID 13493121
Ethyl (3-propylthio)propylamine
CID 15066865
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N-ethyl-4-ethylsulfanylbutan-1-amine
CID 54210426
2-propylsulfanyl-N-(2-propylsulfanylpropyl)propan-1-amine
CID 54387949
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
N-(2-propylsulfanylethyl)propan-1-amine
CID 61385649
2-butylsulfanyl-N-ethylethanamine
CID 61386330
N-(2-propylsulfanylethyl)butan-1-amine
CID 62577129

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine (CID 163669100) is N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine is C=C(C)SCCCNCC.
What is the InChIKey of N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
The InChIKey is JAYZQHGQDOGEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-9-6-5-7-10-8(2)3/h9H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine?
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 163669100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).