N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C12H22BrNO3S — CID 113271040

IUPACN-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C12H22BrNO3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10H2
InChIKeyWBHIKRITLCLYQP-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 113271040) has the molecular formula C12H22BrNO3S and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID113271040
Molecular FormulaC12H22BrNO3S
Molecular Weight340.28 g/mol
Exact Mass339.05
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C12H22BrNO3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10H2
InChIKeyWBHIKRITLCLYQP-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
CID 114314002
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246959

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 113271040) is N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is WBHIKRITLCLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10H2.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 340.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 113271040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).