4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol

C13H25NOS — CID 65115494

IUPAC4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2CCSC2)CC1
InChIInChI=1S/C13H25NOS/c1-12(2)4-6-13(15,7-5-12)10-14-11-3-8-16-9-11/h11,14-15H,3-10H2,1-2H3
InChIKeyHRCPGNIUZMWLGH-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

About 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65115494) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
PubChem CID65115494
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2CCSC2)CC1
InChIInChI=1S/C13H25NOS/c1-12(2)4-6-13(15,7-5-12)10-14-11-3-8-16-9-11/h11,14-15H,3-10H2,1-2H3
InChIKeyHRCPGNIUZMWLGH-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol (CID 65115494) is 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNC2CCSC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is HRCPGNIUZMWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-12(2)4-6-13(15,7-5-12)10-14-11-3-8-16-9-11/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).