1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine

C10H23N3O2S — CID 106286684

IUPAC1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-3-8(4-2)10(11)7-12-16(14,15)13-9-5-6-9/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyHEADBCMTPUKBOM-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.34
Rot. Bonds8

About 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine

1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine (PubChem CID 106286684) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine
PubChem CID106286684
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-3-8(4-2)10(11)7-12-16(14,15)13-9-5-6-9/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyHEADBCMTPUKBOM-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
3-Methyl-2-(sulfamoylamino)heptane
CID 154426138
methane;4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 160469218
2-Amino-1-(dimethylsulfamoylamino)-4-methylpentane
CID 43606398
2-Amino-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 61453797
1-Amino-2-(dimethylsulfamoylamino)-4-methylpentane
CID 63765068
1-Amino-4-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 63765255
[1-Amino-2-(diethylsulfamoylamino)ethyl]cyclopropane
CID 63765272
[1-Amino-2-(dimethylsulfamoylamino)ethyl]cyclopropane
CID 63765466
N-(2-amino-2-cyclopropylethyl)-2-methylpropane-2-sulfonamide
CID 63765652
[1-Amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclopropane
CID 63765653

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine (CID 106286684) is 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine is CCC(CC)C(N)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine?
The InChIKey is HEADBCMTPUKBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-8(4-2)10(11)7-12-16(14,15)13-9-5-6-9/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine?
1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine has a molecular weight of 249.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylsulfamoyl)-3-ethylpentane-1,2-diamine is sourced from PubChem (CID 106286684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).