N-pentan-3-ylsulfanylmethanamine

C6H15NS — CID 134360938

IUPACN-pentan-3-ylsulfanylmethanamine
SMILESCCC(CC)SNC
InChIInChI=1S/C6H15NS/c1-4-6(5-2)8-7-3/h6-7H,4-5H2,1-3H3
InChIKeyRZDMFOMWUJPEAH-UHFFFAOYSA-N
MW133.26 g/mol
LogP2.04
Rot. Bonds4

About N-pentan-3-ylsulfanylmethanamine

N-pentan-3-ylsulfanylmethanamine (PubChem CID 134360938) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-pentan-3-ylsulfanylmethanamine.

Molecular Properties

Compound NameN-pentan-3-ylsulfanylmethanamine
PubChem CID134360938
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-pentan-3-ylsulfanylmethanamine
SMILESCCC(CC)SNC
InChIInChI=1S/C6H15NS/c1-4-6(5-2)8-7-3/h6-7H,4-5H2,1-3H3
InChIKeyRZDMFOMWUJPEAH-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 52.04
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-pentan-3-ylsulfanylmethanamine?
The IUPAC name of N-pentan-3-ylsulfanylmethanamine (CID 134360938) is N-pentan-3-ylsulfanylmethanamine.
What is the SMILES notation for N-pentan-3-ylsulfanylmethanamine?
The canonical SMILES for N-pentan-3-ylsulfanylmethanamine is CCC(CC)SNC.
What is the InChIKey of N-pentan-3-ylsulfanylmethanamine?
The InChIKey is RZDMFOMWUJPEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-6(5-2)8-7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-pentan-3-ylsulfanylmethanamine?
N-pentan-3-ylsulfanylmethanamine has a molecular weight of 133.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylsulfanylmethanamine is sourced from PubChem (CID 134360938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).