1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane

C9H21BrN2O2S — CID 106118384

IUPAC1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
SMILESCCCC(CCBr)CNS(=O)(=O)N(C)C
InChIInChI=1S/C9H21BrN2O2S/c1-4-5-9(6-7-10)8-11-15(13,14)12(2)3/h9,11H,4-8H2,1-3H3
InChIKeyXMKZZXZQRPNTDY-UHFFFAOYSA-N
MW301.25 g/mol
LogP1.58
Rot. Bonds8

About 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane

1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane (PubChem CID 106118384) has the molecular formula C9H21BrN2O2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane.

Molecular Properties

Compound Name1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
PubChem CID106118384
Molecular FormulaC9H21BrN2O2S
Molecular Weight301.25 g/mol
Exact Mass300.05
IUPAC Name1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
SMILESCCCC(CCBr)CNS(=O)(=O)N(C)C
InChIInChI=1S/C9H21BrN2O2S/c1-4-5-9(6-7-10)8-11-15(13,14)12(2)3/h9,11H,4-8H2,1-3H3
InChIKeyXMKZZXZQRPNTDY-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane
CID 114295067
N-[2-(2-bromoethyl)pentyl]-2-ethoxyethanesulfonamide
CID 106118395
N-[2-(2-bromoethyl)pentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106118418
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
CID 103836357
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172636
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554
2-(dimethylsulfamoylamino)pentane
CID 4635587
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
CID 65036782

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane?
The IUPAC name of 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane (CID 106118384) is 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane.
What is the SMILES notation for 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane?
The canonical SMILES for 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane is CCCC(CCBr)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane?
The InChIKey is XMKZZXZQRPNTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrN2O2S/c1-4-5-9(6-7-10)8-11-15(13,14)12(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane?
1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane has a molecular weight of 301.25 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane is sourced from PubChem (CID 106118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).