N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine

C8H19N3O2S — CID 43136980

IUPACN'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
SMILESCN(C)S(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11(7-3-6-9)8-4-5-8/h8H,3-7,9H2,1-2H3
InChIKeyOPMKFXQJVWCQPW-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.39
Rot. Bonds6

About N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine

N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine (PubChem CID 43136980) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
PubChem CID43136980
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
SMILESCN(C)S(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11(7-3-6-9)8-4-5-8/h8H,3-7,9H2,1-2H3
InChIKeyOPMKFXQJVWCQPW-UHFFFAOYSA-N
XLogP-0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65784620
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CID 65784624
CID 65784624
CID 65785007
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CID 65785011
CID 65785011
CID 65785583
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CID 65786134
CID 65786134
CID 65786933
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CID 65797265
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CID 65800650
CID 65800650

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine (CID 43136980) is N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine is CN(C)S(=O)(=O)N(CCCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
The InChIKey is OPMKFXQJVWCQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11(7-3-6-9)8-4-5-8/h8H,3-7,9H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine?
N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine has a molecular weight of 221.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(dimethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 43136980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).