4-aminosulfanyl-1-ethylcyclohexan-1-ol

C8H17NOS — CID 151578432

IUPAC4-aminosulfanyl-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(SN)CC1
InChIInChI=1S/C8H17NOS/c1-2-8(10)5-3-7(11-9)4-6-8/h7,10H,2-6,9H2,1H3
InChIKeyQFYNAQIHDGLQSC-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.68
Rot. Bonds2

About 4-aminosulfanyl-1-ethylcyclohexan-1-ol

4-aminosulfanyl-1-ethylcyclohexan-1-ol (PubChem CID 151578432) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-aminosulfanyl-1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-aminosulfanyl-1-ethylcyclohexan-1-ol
PubChem CID151578432
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-aminosulfanyl-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(SN)CC1
InChIInChI=1S/C8H17NOS/c1-2-8(10)5-3-7(11-9)4-6-8/h7,10H,2-6,9H2,1H3
InChIKeyQFYNAQIHDGLQSC-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(thian-4-ylamino)cyclohexan-1-ol
CID 115888197
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
N-(4-ethyl-4-hydroxycyclohexyl)acetamide
CID 131153835
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756511
4-ethylthian-4-ol
CID 83681865
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
1-ethyl-3,3-difluoro-4-methylcyclohexan-1-ol
CID 121407329
1-(2-aminoethyl)-4-propylcyclohexan-1-ol
CID 79128310
(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
CID 130305226

Frequently Asked Questions

What is the IUPAC name of 4-aminosulfanyl-1-ethylcyclohexan-1-ol?
The IUPAC name of 4-aminosulfanyl-1-ethylcyclohexan-1-ol (CID 151578432) is 4-aminosulfanyl-1-ethylcyclohexan-1-ol.
What is the SMILES notation for 4-aminosulfanyl-1-ethylcyclohexan-1-ol?
The canonical SMILES for 4-aminosulfanyl-1-ethylcyclohexan-1-ol is CCC1(O)CCC(SN)CC1.
What is the InChIKey of 4-aminosulfanyl-1-ethylcyclohexan-1-ol?
The InChIKey is QFYNAQIHDGLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-8(10)5-3-7(11-9)4-6-8/h7,10H,2-6,9H2,1H3.
What are the key properties of 4-aminosulfanyl-1-ethylcyclohexan-1-ol?
4-aminosulfanyl-1-ethylcyclohexan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminosulfanyl-1-ethylcyclohexan-1-ol is sourced from PubChem (CID 151578432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).