1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine

C13H25NO2S — CID 65421162

IUPAC1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H25NO2S/c1-10(2)11-3-6-13(14,7-4-11)12-5-8-17(15,16)9-12/h10-12H,3-9,14H2,1-2H3
InChIKeyYKOMZVWJZYCYAF-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.96
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine

1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 65421162) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID65421162
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H25NO2S/c1-10(2)11-3-6-13(14,7-4-11)12-5-8-17(15,16)9-12/h10-12H,3-9,14H2,1-2H3
InChIKeyYKOMZVWJZYCYAF-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
CID 115337362
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 64748383
7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
CID 137390183
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
CID 107135848
N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985
1-(1,1-dioxothiolan-3-yl)-4-methylcyclohexane-1-carboxylic acid
CID 65394495
1-(1,1-dioxothiolan-3-yl)cyclooctane-1-carboxylic acid
CID 80610840
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine (CID 65421162) is 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YKOMZVWJZYCYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10(2)11-3-6-13(14,7-4-11)12-5-8-17(15,16)9-12/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65421162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).