1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol

C10H21NOS — CID 66244554

IUPAC1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESCC(CN)SCC1(O)CCCCC1
InChIInChI=1S/C10H21NOS/c1-9(7-11)13-8-10(12)5-3-2-4-6-10/h9,12H,2-8,11H2,1H3
InChIKeyBWXANVPOBIFJIJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds4

About 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol

1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 66244554) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol
PubChem CID66244554
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESCC(CN)SCC1(O)CCCCC1
InChIInChI=1S/C10H21NOS/c1-9(7-11)13-8-10(12)5-3-2-4-6-10/h9,12H,2-8,11H2,1H3
InChIKeyBWXANVPOBIFJIJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol (CID 66244554) is 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol is CC(CN)SCC1(O)CCCCC1.
What is the InChIKey of 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is BWXANVPOBIFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(7-11)13-8-10(12)5-3-2-4-6-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol?
1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 66244554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).