3-(3-methylsulfanylpropylamino)cyclohexan-1-ol

C10H21NOS — CID 43751078

IUPAC3-(3-methylsulfanylpropylamino)cyclohexan-1-ol
SMILESCSCCCNC1CCCC(O)C1
InChIInChI=1S/C10H21NOS/c1-13-7-3-6-11-9-4-2-5-10(12)8-9/h9-12H,2-8H2,1H3
InChIKeyNBXFFBRMKKGQFD-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds5

About 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol

3-(3-methylsulfanylpropylamino)cyclohexan-1-ol (PubChem CID 43751078) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3-methylsulfanylpropylamino)cyclohexan-1-ol
PubChem CID43751078
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(3-methylsulfanylpropylamino)cyclohexan-1-ol
SMILESCSCCCNC1CCCC(O)C1
InChIInChI=1S/C10H21NOS/c1-13-7-3-6-11-9-4-2-5-10(12)8-9/h9-12H,2-8H2,1H3
InChIKeyNBXFFBRMKKGQFD-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The IUPAC name of 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol (CID 43751078) is 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol is CSCCCNC1CCCC(O)C1.
What is the InChIKey of 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The InChIKey is NBXFFBRMKKGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-7-3-6-11-9-4-2-5-10(12)8-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
3-(3-methylsulfanylpropylamino)cyclohexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).