5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane

C8H20N2O3S — CID 103858830

IUPAC5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
SMILESCC(CO)CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-8(7-11)5-4-6-9-14(12,13)10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyXMLSOHQLROTMPB-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.21
Rot. Bonds7

About 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane

5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane (PubChem CID 103858830) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
PubChem CID103858830
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
SMILESCC(CO)CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-8(7-11)5-4-6-9-14(12,13)10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyXMLSOHQLROTMPB-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
CID 103946879
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
CID 103876036
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane?
The IUPAC name of 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane (CID 103858830) is 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane?
The canonical SMILES for 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane is CC(CO)CCCNS(=O)(=O)N(C)C.
What is the InChIKey of 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane?
The InChIKey is XMLSOHQLROTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(7-11)5-4-6-9-14(12,13)10(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane?
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane has a molecular weight of 224.33 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane is sourced from PubChem (CID 103858830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).