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

C8H19N3O2S — CID 114810889

IUPAC1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c1-6(2)8(9)5-10-14(12,13)11-7-3-4-7/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyNIINGLWEPFRXAD-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.44
Rot. Bonds6

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

1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine (PubChem CID 114810889) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
PubChem CID114810889
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c1-6(2)8(9)5-10-14(12,13)11-7-3-4-7/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyNIINGLWEPFRXAD-UHFFFAOYSA-N
XLogP-0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
4-N-(cyclopropylsulfamoyl)pentane-2,4-diamine
CID 114812950
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
CID 114383309
(cyclopropylsulfamoylamino)methanol
CID 117126061
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
3,3-dimethyl-N-(2-methylpropylsulfamoyl)cyclopentan-1-amine
CID 114814941
1-(cyclopropylsulfamoylamino)-2,4-dimethylpentan-2-ol
CID 114809675
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine (CID 114810889) is 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine is CC(C)C(N)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine?
The InChIKey is NIINGLWEPFRXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-6(2)8(9)5-10-14(12,13)11-7-3-4-7/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine?
1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114810889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).