N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine

C9H21N3O2S — CID 106154211

IUPACN'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(7-10)3-2-6-11-15(13,14)12-9-4-5-9/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDQQKRTGGTZHEOU-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds8

About N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine

N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine (PubChem CID 106154211) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine
PubChem CID106154211
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(7-10)3-2-6-11-15(13,14)12-9-4-5-9/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDQQKRTGGTZHEOU-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230
4-Methyl-1-(sulfamoylamino)pentane
CID 59849306
2-Methyl-3-(sulfamoylamino)pentane
CID 112686448
[(2R)-2-propylcyclopropyl]sulfamic acid
CID 117646233
(2R)-2-[[butan-2-yl(methyl)sulfamoyl]amino]-4-methylpentane
CID 143144135
3-Methyl-2-(sulfamoylamino)heptane
CID 154426138
methane;4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 160469218
methane;3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 160582271
4-methyl-N-(methylsulfamoyl)pentan-1-amine
CID 166565565

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine (CID 106154211) is N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine is CC(CN)CCCNS(=O)(=O)NC1CC1.
What is the InChIKey of N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine?
The InChIKey is DQQKRTGGTZHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(7-10)3-2-6-11-15(13,14)12-9-4-5-9/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine?
N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 106154211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).