1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride

C10H17ClO3S — CID 165490453

IUPAC1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCCCC2O)CC1
InChIInChI=1S/C10H17ClO3S/c11-15(13,14)10(5-6-10)7-8-3-1-2-4-9(8)12/h8-9,12H,1-7H2
InChIKeyNDTXCXOBDIUDAT-UHFFFAOYSA-N
MW252.76 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride

1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165490453) has the molecular formula C10H17ClO3S and a molecular weight of 252.76 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
PubChem CID165490453
Molecular FormulaC10H17ClO3S
Molecular Weight252.76 g/mol
Exact Mass252.06
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC2CCCCC2O)CC1
InChIInChI=1S/C10H17ClO3S/c11-15(13,14)10(5-6-10)7-8-3-1-2-4-9(8)12/h8-9,12H,1-7H2
InChIKeyNDTXCXOBDIUDAT-UHFFFAOYSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490471
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde
CID 131166496
1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490406
cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
CID 98123735
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
2-(2-propan-2-ylsulfonylethyl)cycloheptan-1-ol
CID 106729005
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride (CID 165490453) is 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CC2CCCCC2O)CC1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is NDTXCXOBDIUDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3S/c11-15(13,14)10(5-6-10)7-8-3-1-2-4-9(8)12/h8-9,12H,1-7H2.
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride?
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 252.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165490453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).