2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine

C12H23NS — CID 62581888

IUPAC2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)SC1CCCCC1
InChIInChI=1S/C12H23NS/c1-3-9-13-10-11(2)14-12-7-5-4-6-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyBGZAKDZRTHVLQS-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds6

About 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine

2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine (PubChem CID 62581888) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine
PubChem CID62581888
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)SC1CCCCC1
InChIInChI=1S/C12H23NS/c1-3-9-13-10-11(2)14-12-7-5-4-6-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyBGZAKDZRTHVLQS-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
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-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
1-pentylsulfanyl-N-(1-pentylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474478
N-ethyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493114
N-[(Z)-3-methylsulfanylprop-2-enyl]cyclohexanamine
CID 14315751
N-(prop-2-en-1-yl)thian-4-amine
CID 43394829
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
2-(2-methylpropylsulfanyl)-N-prop-2-enylpropan-1-amine
CID 62577354
N-prop-2-enyl-2-propylsulfanylpropan-1-amine
CID 62577543
2-butylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62577844
2-ethylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62577948
N-(2-butylsulfanylethyl)prop-2-en-1-amine
CID 62578250

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine (CID 62581888) is 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine is C=CCNCC(C)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine?
The InChIKey is BGZAKDZRTHVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-9-13-10-11(2)14-12-7-5-4-6-8-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine?
2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62581888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).