N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane

C14H29N3O2S — CID 156836966

IUPACN-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane
SMILESCC.CS(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C12H23N3O2S.C2H6/c1-18(17)15-9-7-14(8-10-15)12(16)13-11-5-3-2-4-6-11;1-2/h11H,2-10H2,1H3,(H,13,16);1-2H3
InChIKeyFCWRFAQRVFRNKX-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.97
Rot. Bonds2

About N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane

N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane (PubChem CID 156836966) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane
PubChem CID156836966
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane
SMILESCC.CS(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C12H23N3O2S.C2H6/c1-18(17)15-9-7-14(8-10-15)12(16)13-11-5-3-2-4-6-11;1-2/h11H,2-10H2,1H3,(H,13,16);1-2H3
InChIKeyFCWRFAQRVFRNKX-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
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N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
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(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
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methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane?
The IUPAC name of N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane (CID 156836966) is N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane.
What is the SMILES notation for N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane?
The canonical SMILES for N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane is CC.CS(=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane?
The InChIKey is FCWRFAQRVFRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S.C2H6/c1-18(17)15-9-7-14(8-10-15)12(16)13-11-5-3-2-4-6-11;1-2/h11H,2-10H2,1H3,(H,13,16);1-2H3.
What are the key properties of N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane?
N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane has a molecular weight of 303.47 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane is sourced from PubChem (CID 156836966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).