N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

C15H32ClN3O3S — CID 119597434

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCS(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H31N3O3S.ClH/c1-13(2)11-15(3,12-16)17-14(19)7-6-10-22(20,21)18-8-4-5-9-18;/h13H,4-12,16H2,1-3H3,(H,17,19);1H
InChIKeyOOIDZDKBOUPEAO-UHFFFAOYSA-N
MW369.96 g/mol
LogP1.49
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (PubChem CID 119597434) has the molecular formula C15H32ClN3O3S and a molecular weight of 369.96 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
PubChem CID119597434
Molecular FormulaC15H32ClN3O3S
Molecular Weight369.96 g/mol
Exact Mass369.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCS(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H31N3O3S.ClH/c1-13(2)11-15(3,12-16)17-14(19)7-6-10-22(20,21)18-8-4-5-9-18;/h13H,4-12,16H2,1-3H3,(H,17,19);1H
InChIKeyOOIDZDKBOUPEAO-UHFFFAOYSA-N
XLogP1.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
CID 119599815
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119598032
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119597382
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (CID 119597434) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCCS(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The InChIKey is OOIDZDKBOUPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S.ClH/c1-13(2)11-15(3,12-16)17-14(19)7-6-10-22(20,21)18-8-4-5-9-18;/h13H,4-12,16H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride has a molecular weight of 369.96 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119597434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).