N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine

C14H26N2S — CID 167228174

IUPACN-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine
SMILESSNC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C14H26N2S/c17-15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12/h11-15,17H,1-10H2
InChIKeyNASMZXVRFDCROP-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine

N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine (PubChem CID 167228174) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine
PubChem CID167228174
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine
SMILESSNC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C14H26N2S/c17-15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12/h11-15,17H,1-10H2
InChIKeyNASMZXVRFDCROP-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine?
The IUPAC name of N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine (CID 167228174) is N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine.
What is the SMILES notation for N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine?
The canonical SMILES for N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine is SNC1CCC(N(CC2CC2)CC2CC2)CC1.
What is the InChIKey of N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine?
The InChIKey is NASMZXVRFDCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c17-15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12/h11-15,17H,1-10H2.
What are the key properties of N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine?
N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine has a molecular weight of 254.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(cyclopropylmethyl)amino]cyclohexyl]thiohydroxylamine is sourced from PubChem (CID 167228174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).