3-(3-methylcyclohexyl)oxypropanethioamide

C10H19NOS — CID 43128270

IUPAC3-(3-methylcyclohexyl)oxypropanethioamide
SMILESCC1CCCC(OCCC(N)=S)C1
InChIInChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)12-6-5-10(11)13/h8-9H,2-7H2,1H3,(H2,11,13)
InChIKeyYUZSUEYSDTUXAO-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.26
Rot. Bonds4

About 3-(3-methylcyclohexyl)oxypropanethioamide

3-(3-methylcyclohexyl)oxypropanethioamide (PubChem CID 43128270) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxypropanethioamide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxypropanethioamide
PubChem CID43128270
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(3-methylcyclohexyl)oxypropanethioamide
SMILESCC1CCCC(OCCC(N)=S)C1
InChIInChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)12-6-5-10(11)13/h8-9H,2-7H2,1H3,(H2,11,13)
InChIKeyYUZSUEYSDTUXAO-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79564056
2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64810208
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
CID 64815020
1-methyl-3-prop-2-enoxycyclohexane
CID 90739915
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
CID 63041133
1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79588135
2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
CID 81217769
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 64810001
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090
2-cyclopropyl-3-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)propanamide
CID 63919936

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)oxypropanethioamide?
The IUPAC name of 3-(3-methylcyclohexyl)oxypropanethioamide (CID 43128270) is 3-(3-methylcyclohexyl)oxypropanethioamide.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxypropanethioamide?
The canonical SMILES for 3-(3-methylcyclohexyl)oxypropanethioamide is CC1CCCC(OCCC(N)=S)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxypropanethioamide?
The InChIKey is YUZSUEYSDTUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)12-6-5-10(11)13/h8-9H,2-7H2,1H3,(H2,11,13).
What are the key properties of 3-(3-methylcyclohexyl)oxypropanethioamide?
3-(3-methylcyclohexyl)oxypropanethioamide has a molecular weight of 201.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxypropanethioamide is sourced from PubChem (CID 43128270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).