N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide

C9H22N2O3S — CID 106357397

IUPACN-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(CCN)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)9(4-5-10)11-15(12,13)7-6-14-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJGFOZRAZXPSVPB-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.07
Rot. Bonds8

About N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide

N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide (PubChem CID 106357397) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
PubChem CID106357397
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(CCN)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)9(4-5-10)11-15(12,13)7-6-14-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJGFOZRAZXPSVPB-UHFFFAOYSA-N
XLogP-0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
CID 106357404
N-(1-amino-4-methylpentan-3-yl)butane-1-sulfonamide
CID 106357360
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
N-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
CID 65047605
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106357429
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide (CID 106357397) is N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC(CCN)C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide?
The InChIKey is JGFOZRAZXPSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)9(4-5-10)11-15(12,13)7-6-14-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide?
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 106357397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).