1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine

C8H21N3O2S — CID 114812975

IUPAC1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(N)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H21N3O2S/c1-4-5-8(9)6-10-14(12,13)11-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyCGWPNPJXQRYUOR-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.05
Rot. Bonds7

About 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine

1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine (PubChem CID 114812975) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
PubChem CID114812975
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(N)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H21N3O2S/c1-4-5-8(9)6-10-14(12,13)11-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyCGWPNPJXQRYUOR-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
CID 115752625
1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
CID 114810500
N-(2-aminopentyl)-2-methylsulfonylpropanamide
CID 115737770
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
CID 114806279
N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 115752601
N-[(2R)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238648
N-[(2S)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238647
2-(propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896

Frequently Asked Questions

What is the IUPAC name of 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine?
The IUPAC name of 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine (CID 114812975) is 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine is CCCC(N)CNS(=O)(=O)NC(C)C.
What is the InChIKey of 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine?
The InChIKey is CGWPNPJXQRYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-4-5-8(9)6-10-14(12,13)11-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine?
1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine is sourced from PubChem (CID 114812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).