N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

C15H29NO2S — CID 43679763

IUPACN-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCCCC2C(C)(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)12-7-5-6-8-13(12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDAPKIICPPYJFKN-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679763) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679763
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCCCC2C(C)(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)12-7-5-6-8-13(12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDAPKIICPPYJFKN-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 64762994
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
N-(3-methyl-1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65081523
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 113257455
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
CID 43780093
1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 43679758
3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
CID 107428106
(2-tert-butylcyclohexyl)hydrazine
CID 18070389

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 43679763) is N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2CCCCC2C(C)(C)C)CCS(=O)(=O)C1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is DAPKIICPPYJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-14(2,3)12-7-5-6-8-13(12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 287.47 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).