2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide

C13H27N3O2S — CID 103522003

IUPAC2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H27N3O2S/c1-13(2,3)8-9-19(17,18)16(10-12(14)15)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyFNGAEQITUREYAW-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.93
Rot. Bonds6

About 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide

2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide (PubChem CID 103522003) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide
PubChem CID103522003
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H27N3O2S/c1-13(2,3)8-9-19(17,18)16(10-12(14)15)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyFNGAEQITUREYAW-UHFFFAOYSA-N
XLogP1.93
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(3,3-dimethylbutylsulfonyl)amino]propanethioamide
CID 103521184
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
2-[2-chloroethylsulfonyl(cyclopentyl)amino]acetamide
CID 107651092
1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea
CID 79161307
N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 106631277
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
2-[(1,1-dioxothian-4-yl)-methylamino]ethanimidamide
CID 164654850
N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521480
N-cyclobutyl-N-(2-hydroxyethyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867644
2-[2-chloroprop-2-enylsulfonyl(cyclopentyl)amino]acetamide
CID 91652020
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide?
The IUPAC name of 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide (CID 103522003) is 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide?
The canonical SMILES for 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide is [H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide?
The InChIKey is FNGAEQITUREYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-13(2,3)8-9-19(17,18)16(10-12(14)15)11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H3,14,15).
What are the key properties of 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide?
2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide has a molecular weight of 289.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 103522003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).