2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide

C12H25N3O2S — CID 114135066

IUPAC2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,11-7-13-12-4-5-12)14-6-3-10-15-8-1-2-9-15/h12-14H,1-11H2
InChIKeyHJHYQHIZVCLHRD-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds9

About 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide

2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide (PubChem CID 114135066) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
PubChem CID114135066
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,11-7-13-12-4-5-12)14-6-3-10-15-8-1-2-9-15/h12-14H,1-11H2
InChIKeyHJHYQHIZVCLHRD-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 62992029
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
CID 118140402
2-(cyclopropylamino)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115409138

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide (CID 114135066) is 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide is O=S(=O)(CCNC1CC1)NCCCN1CCCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The InChIKey is HJHYQHIZVCLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c16-18(17,11-7-13-12-4-5-12)14-6-3-10-15-8-1-2-9-15/h12-14H,1-11H2.
What are the key properties of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 114135066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).