N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide

C12H23NO2S — CID 97351327

IUPACN-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
SMILESC[C@@H](C[S@@](C)=O)NC(=O)C1CCCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(9-16(2)15)13-12(14)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,16+/m0/s1
InChIKeyRSLPARHRESJOAU-MGPLVRAMSA-N
MW245.39 g/mol
LogP1.84
Rot. Bonds4

About N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide

N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide (PubChem CID 97351327) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
PubChem CID97351327
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
SMILESC[C@@H](C[S@@](C)=O)NC(=O)C1CCCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(9-16(2)15)13-12(14)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,16+/m0/s1
InChIKeyRSLPARHRESJOAU-MGPLVRAMSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide?
The IUPAC name of N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide (CID 97351327) is N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide is C[C@@H](C[S@@](C)=O)NC(=O)C1CCCCCC1.
What is the InChIKey of N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide?
The InChIKey is RSLPARHRESJOAU-MGPLVRAMSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(9-16(2)15)13-12(14)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,16+/m0/s1.
What are the key properties of N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide?
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide has a molecular weight of 245.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide is sourced from PubChem (CID 97351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).