1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide

C13H27N3O2S — CID 106094033

IUPAC1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide
SMILESCCN(CCNS(=O)(=O)C(C)CNC1CC1)C1CC1
InChIInChI=1S/C13H27N3O2S/c1-3-16(13-6-7-13)9-8-15-19(17,18)11(2)10-14-12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyHENQHASFWKNSOS-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.53
Rot. Bonds10

About 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide

1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide (PubChem CID 106094033) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide
PubChem CID106094033
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide
SMILESCCN(CCNS(=O)(=O)C(C)CNC1CC1)C1CC1
InChIInChI=1S/C13H27N3O2S/c1-3-16(13-6-7-13)9-8-15-19(17,18)11(2)10-14-12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyHENQHASFWKNSOS-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
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1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N'-cyclopropyl-N'-ethyl-N-(3-propan-2-ylcyclobutyl)ethane-1,2-diamine
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(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
CID 120503647
N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-4-sulfonamide
CID 114134795
1-(cyclopropylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-2-sulfonamide
CID 106423680
1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
CID 106062024
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide (CID 106094033) is 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide is CCN(CCNS(=O)(=O)C(C)CNC1CC1)C1CC1.
What is the InChIKey of 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide?
The InChIKey is HENQHASFWKNSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-16(13-6-7-13)9-8-15-19(17,18)11(2)10-14-12-4-5-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide?
1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106094033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).