N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine

C9H21N3O2S — CID 114813040

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCC1(CCN)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-7-11-15(13,14)12-8-9(3-4-9)5-6-10/h11-12H,2-8,10H2,1H3
InChIKeyUTJAXURJLCTJMW-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds8

About N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine

N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine (PubChem CID 114813040) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine
PubChem CID114813040
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCC1(CCN)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-7-11-15(13,14)12-8-9(3-4-9)5-6-10/h11-12H,2-8,10H2,1H3
InChIKeyUTJAXURJLCTJMW-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

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114813039
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
1-Propan-2-yl-1-[(sulfamoylamino)methyl]cyclopropane
CID 103743750
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)pentan-1-amine
CID 118180984
1-Amino-3,3-dimethyl-5-[methyl(sulfamoyl)amino]pentane
CID 141231013
1-(Dimethylsulfamoylamino)-4,4-dimethylpentane
CID 172137882
1-Ethyl-1-[(sulfamoylamino)methyl]cyclopropane
CID 103736182
1-Propyl-1-[(sulfamoylamino)methyl]cyclopropane
CID 103761625
1-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclopropane
CID 105692863
N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
CID 106141491
N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
CID 106141526

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine (CID 114813040) is N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine is CCCNS(=O)(=O)NCC1(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine?
The InChIKey is UTJAXURJLCTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-7-11-15(13,14)12-8-9(3-4-9)5-6-10/h11-12H,2-8,10H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine 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-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]propan-1-amine is sourced from PubChem (CID 114813040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).