N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride

C12H29ClN2O2S — CID 119993074

IUPACN-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CC(CC)CC.Cl
InChIInChI=1S/C12H28N2O2S.ClH/c1-4-7-8-12(9-13)14-17(15,16)10-11(5-2)6-3;/h11-12,14H,4-10,13H2,1-3H3;1H
InChIKeyDIFORQHVLLMHOR-UHFFFAOYSA-N
MW300.90 g/mol
LogP2.28
Rot. Bonds10

About N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride (PubChem CID 119993074) has the molecular formula C12H29ClN2O2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
PubChem CID119993074
Molecular FormulaC12H29ClN2O2S
Molecular Weight300.90 g/mol
Exact Mass300.16
IUPAC NameN-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CC(CC)CC.Cl
InChIInChI=1S/C12H28N2O2S.ClH/c1-4-7-8-12(9-13)14-17(15,16)10-11(5-2)6-3;/h11-12,14H,4-10,13H2,1-3H3;1H
InChIKeyDIFORQHVLLMHOR-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-aminohexan-2-ylsulfamoyl)acetic acid
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2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
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1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553
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CID 119993027
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 80696702
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CID 119993034
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride (CID 119993074) is N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)CC(CC)CC.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The InChIKey is DIFORQHVLLMHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S.ClH/c1-4-7-8-12(9-13)14-17(15,16)10-11(5-2)6-3;/h11-12,14H,4-10,13H2,1-3H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride has a molecular weight of 300.90 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119993074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).