2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol

C15H29NOS — CID 62610243

IUPAC2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C15H29NOS/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-18-11-14/h12-15,17H,3-11H2,1-2H3
InChIKeyDFJVVCMNFFFNPE-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.00
Rot. Bonds5

About 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62610243) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62610243
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C15H29NOS/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-18-11-14/h12-15,17H,3-11H2,1-2H3
InChIKeyDFJVVCMNFFFNPE-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol (CID 62610243) is 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)C2CCSC2)C1.
What is the InChIKey of 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is DFJVVCMNFFFNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-18-11-14/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 271.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62610243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).