N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine

C8H17NS — CID 142537969

IUPACN-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine
SMILESC=S(C)N(C)C1CCCC1
InChIInChI=1S/C8H17NS/c1-9(10(2)3)8-6-4-5-7-8/h8H,2,4-7H2,1,3H3
InChIKeyFUYBDOVNFFBMAE-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine

N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine (PubChem CID 142537969) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine
PubChem CID142537969
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine
SMILESC=S(C)N(C)C1CCCC1
InChIInChI=1S/C8H17NS/c1-9(10(2)3)8-6-4-5-7-8/h8H,2,4-7H2,1,3H3
InChIKeyFUYBDOVNFFBMAE-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine (CID 142537969) is N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine is C=S(C)N(C)C1CCCC1.
What is the InChIKey of N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine?
The InChIKey is FUYBDOVNFFBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9(10(2)3)8-6-4-5-7-8/h8H,2,4-7H2,1,3H3.
What are the key properties of N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine?
N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine has a molecular weight of 159.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine is sourced from PubChem (CID 142537969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).