1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide

C11H24N2O3S — CID 113394692

IUPAC1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CCCCCC1O
InChIInChI=1S/C11H24N2O3S/c1-2-9(8-12)17(15,16)13-10-6-4-3-5-7-11(10)14/h9-11,13-14H,2-8,12H2,1H3
InChIKeyFUCDZNDIAQOHPG-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.34
Rot. Bonds5

About 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide

1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide (PubChem CID 113394692) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide
PubChem CID113394692
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CCCCCC1O
InChIInChI=1S/C11H24N2O3S/c1-2-9(8-12)17(15,16)13-10-6-4-3-5-7-11(10)14/h9-11,13-14H,2-8,12H2,1H3
InChIKeyFUCDZNDIAQOHPG-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
CID 80716199
2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
N-(2-hydroxycyclobutyl)propane-2-sulfonamide
CID 168726677
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide (CID 113394692) is 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NC1CCCCCC1O.
What is the InChIKey of 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide?
The InChIKey is FUCDZNDIAQOHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-9(8-12)17(15,16)13-10-6-4-3-5-7-11(10)14/h9-11,13-14H,2-8,12H2,1H3.
What are the key properties of 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide?
1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxycycloheptyl)butane-2-sulfonamide is sourced from PubChem (CID 113394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).