2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid

C11H21NO3S — CID 175279677

IUPAC2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid
SMILESCC(C)CNC(=O)C1CCCCC1S(=O)O
InChIInChI=1S/C11H21NO3S/c1-8(2)7-12-11(13)9-5-3-4-6-10(9)16(14)15/h8-10H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZIOIDZVZZXWANK-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid

2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid (PubChem CID 175279677) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid
PubChem CID175279677
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid
SMILESCC(C)CNC(=O)C1CCCCC1S(=O)O
InChIInChI=1S/C11H21NO3S/c1-8(2)7-12-11(13)9-5-3-4-6-10(9)16(14)15/h8-10H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZIOIDZVZZXWANK-UHFFFAOYSA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide
CID 141170408
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 112702833
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
(3R,4R)-4-amino-1-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 89470271
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
6-methyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24690890

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid?
The IUPAC name of 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid (CID 175279677) is 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid is CC(C)CNC(=O)C1CCCCC1S(=O)O.
What is the InChIKey of 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid?
The InChIKey is ZIOIDZVZZXWANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8(2)7-12-11(13)9-5-3-4-6-10(9)16(14)15/h8-10H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid?
2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid has a molecular weight of 247.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid is sourced from PubChem (CID 175279677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).