2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide

C13H26N2O2S — CID 153459202

IUPAC2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCC(NC(=O)CN=S(C)(C)=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-10(2)11-5-7-12(8-6-11)15-13(16)9-14-18(3,4)17/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyNAWAKADAYWCMIN-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.05
Rot. Bonds4

About 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide (PubChem CID 153459202) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
PubChem CID153459202
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCC(NC(=O)CN=S(C)(C)=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-10(2)11-5-7-12(8-6-11)15-13(16)9-14-18(3,4)17/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyNAWAKADAYWCMIN-UHFFFAOYSA-N
XLogP2.05
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 134484614
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
N-cyclopropyl-2-propan-2-ylsulfonylacetamide
CID 87023654
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
N-cyclopropylacetamide;1-methyl-4-propan-2-ylcyclohexane
CID 90040795
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-methyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 62701981
2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide
CID 114235017
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
3-[2-(cyclopropylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 66114123

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide (CID 153459202) is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide is CC(C)C1CCC(NC(=O)CN=S(C)(C)=O)CC1.
What is the InChIKey of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide?
The InChIKey is NAWAKADAYWCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(2)11-5-7-12(8-6-11)15-13(16)9-14-18(3,4)17/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide?
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide has a molecular weight of 274.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 153459202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).