1-(butylsulfamoylamino)-6-methylheptan-2-ol

C12H28N2O3S — CID 91441532

IUPAC1-(butylsulfamoylamino)-6-methylheptan-2-ol
SMILESCCCCNS(=O)(=O)NCC(O)CCCC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-5-9-13-18(16,17)14-10-12(15)8-6-7-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyPQIBVSOPJBVFLC-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.40
Rot. Bonds11

About 1-(butylsulfamoylamino)-6-methylheptan-2-ol

1-(butylsulfamoylamino)-6-methylheptan-2-ol (PubChem CID 91441532) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(butylsulfamoylamino)-6-methylheptan-2-ol.

Molecular Properties

Compound Name1-(butylsulfamoylamino)-6-methylheptan-2-ol
PubChem CID91441532
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name1-(butylsulfamoylamino)-6-methylheptan-2-ol
SMILESCCCCNS(=O)(=O)NCC(O)CCCC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-5-9-13-18(16,17)14-10-12(15)8-6-7-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyPQIBVSOPJBVFLC-UHFFFAOYSA-N
XLogP1.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-6-methylheptan-2-ol
CID 13245634
rel-(2R,3R)-3-Amino-6-methyl-2-heptanol
CID 55283795
N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
CID 86168934
1-Amino-6-methylheptan-2-ol
CID 88736655
(4R)-1-amino-6-methylheptane-2,4-diol
CID 88891000
3-Amino-1-(butylsulfamoylamino)-6-methylheptan-2-ol
CID 90779627
4-Ethyl-6-methyl-1-(sulfanylamino)octan-2-ol
CID 90905867
6-Methyl-1-(pentylsulfamoylamino)heptan-2-ol
CID 90996740
1-Amino-4,6-dimethylheptan-2-ol
CID 146604976
1-Amino-6-methylheptane-2,5-diol
CID 150557059
(2S,4R)-1,4-diamino-6-methylheptan-2-ol
CID 166872257
(4R)-1,4-diamino-6-methylheptan-2-ol
CID 166873547

Frequently Asked Questions

What is the IUPAC name of 1-(butylsulfamoylamino)-6-methylheptan-2-ol?
The IUPAC name of 1-(butylsulfamoylamino)-6-methylheptan-2-ol (CID 91441532) is 1-(butylsulfamoylamino)-6-methylheptan-2-ol.
What is the SMILES notation for 1-(butylsulfamoylamino)-6-methylheptan-2-ol?
The canonical SMILES for 1-(butylsulfamoylamino)-6-methylheptan-2-ol is CCCCNS(=O)(=O)NCC(O)CCCC(C)C.
What is the InChIKey of 1-(butylsulfamoylamino)-6-methylheptan-2-ol?
The InChIKey is PQIBVSOPJBVFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-4-5-9-13-18(16,17)14-10-12(15)8-6-7-11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(butylsulfamoylamino)-6-methylheptan-2-ol?
1-(butylsulfamoylamino)-6-methylheptan-2-ol has a molecular weight of 280.43 g/mol, XLogP of 1.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylsulfamoylamino)-6-methylheptan-2-ol is sourced from PubChem (CID 91441532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).