3-(thiolan-3-ylamino)cyclohexan-1-ol

C10H19NOS — CID 43751170

IUPAC3-(thiolan-3-ylamino)cyclohexan-1-ol
SMILESOC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C10H19NOS/c12-10-3-1-2-8(6-10)11-9-4-5-13-7-9/h8-12H,1-7H2
InChIKeyNMUJRXVAMLWFIP-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.38
Rot. Bonds2

About 3-(thiolan-3-ylamino)cyclohexan-1-ol

3-(thiolan-3-ylamino)cyclohexan-1-ol (PubChem CID 43751170) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(thiolan-3-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(thiolan-3-ylamino)cyclohexan-1-ol
PubChem CID43751170
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(thiolan-3-ylamino)cyclohexan-1-ol
SMILESOC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C10H19NOS/c12-10-3-1-2-8(6-10)11-9-4-5-13-7-9/h8-12H,1-7H2
InChIKeyNMUJRXVAMLWFIP-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine
CID 43748965
4-(Thiolan-2-ylmethylamino)cyclohexan-1-ol
CID 106594834
4-[(Thiolan-3-yl)amino]cyclohexan-1-ol
CID 43178541
3-(3-Methylsulfanylpropylamino)cyclohexan-1-ol
CID 43751078
3-[(1,1-Dioxothian-4-yl)amino]cyclohexan-1-ol
CID 43751417
3-(Thian-4-ylamino)cyclohexan-1-ol
CID 43751418
3-[(1-Oxothian-4-yl)amino]cyclohexan-1-ol
CID 61563977
2-(Thiolan-3-ylamino)cyclohexan-1-ol
CID 62365773
3-(Thian-3-ylamino)cyclohexan-1-ol
CID 62873095
3-[(1,1-Dioxothiolan-3-yl)amino]cyclohexan-1-ol
CID 63162865
3-[(1,1-Dioxothian-3-yl)amino]cyclohexan-1-ol
CID 63922626
3-methoxy-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 64092576

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylamino)cyclohexan-1-ol?
The IUPAC name of 3-(thiolan-3-ylamino)cyclohexan-1-ol (CID 43751170) is 3-(thiolan-3-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(thiolan-3-ylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(thiolan-3-ylamino)cyclohexan-1-ol is OC1CCCC(NC2CCSC2)C1.
What is the InChIKey of 3-(thiolan-3-ylamino)cyclohexan-1-ol?
The InChIKey is NMUJRXVAMLWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10-3-1-2-8(6-10)11-9-4-5-13-7-9/h8-12H,1-7H2.
What are the key properties of 3-(thiolan-3-ylamino)cyclohexan-1-ol?
3-(thiolan-3-ylamino)cyclohexan-1-ol has a molecular weight of 201.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).