N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine

C9H18N2S — CID 170292773

IUPACN-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine
SMILESC1CNCC(CNSC2CC2)C1
InChIInChI=1S/C9H18N2S/c1-2-8(6-10-5-1)7-11-12-9-3-4-9/h8-11H,1-7H2
InChIKeyPFCSCKVNDYDDKA-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine

N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine (PubChem CID 170292773) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine
PubChem CID170292773
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine
SMILESC1CNCC(CNSC2CC2)C1
InChIInChI=1S/C9H18N2S/c1-2-8(6-10-5-1)7-11-12-9-3-4-9/h8-11H,1-7H2
InChIKeyPFCSCKVNDYDDKA-UHFFFAOYSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
CID 153331663
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
N-(piperidin-3-ylmethyl)pyrrol-1-amine
CID 80555534
3-methyl-N-[[(3R)-piperidin-3-yl]methyl]cyclobutan-1-amine
CID 130522929
3-(methylsulfanylmethyl)piperidine
CID 22276228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine (CID 170292773) is N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine is C1CNCC(CNSC2CC2)C1.
What is the InChIKey of N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine?
The InChIKey is PFCSCKVNDYDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-8(6-10-5-1)7-11-12-9-3-4-9/h8-11H,1-7H2.
What are the key properties of N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine?
N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine has a molecular weight of 186.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 170292773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).