N-cyclohexylsulfanylethanamine

C8H17NS — CID 139477318

IUPACN-cyclohexylsulfanylethanamine
SMILESCCNSC1CCCCC1
InChIInChI=1S/C8H17NS/c1-2-9-10-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyKVGSDZNSRRDKGN-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.58
Rot. Bonds3

About N-cyclohexylsulfanylethanamine

N-cyclohexylsulfanylethanamine (PubChem CID 139477318) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-cyclohexylsulfanylethanamine.

Molecular Properties

Compound NameN-cyclohexylsulfanylethanamine
PubChem CID139477318
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-cyclohexylsulfanylethanamine
SMILESCCNSC1CCCCC1
InChIInChI=1S/C8H17NS/c1-2-9-10-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyKVGSDZNSRRDKGN-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfanylethanamine?
The IUPAC name of N-cyclohexylsulfanylethanamine (CID 139477318) is N-cyclohexylsulfanylethanamine.
What is the SMILES notation for N-cyclohexylsulfanylethanamine?
The canonical SMILES for N-cyclohexylsulfanylethanamine is CCNSC1CCCCC1.
What is the InChIKey of N-cyclohexylsulfanylethanamine?
The InChIKey is KVGSDZNSRRDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-9-10-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-cyclohexylsulfanylethanamine?
N-cyclohexylsulfanylethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfanylethanamine is sourced from PubChem (CID 139477318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).