1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine

C11H25N3O2S — CID 63165498

IUPAC1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C11H25N3O2S/c1-3-13(4-2)11-6-8-14(10-11)17(15,16)9-5-7-12/h11H,3-10,12H2,1-2H3
InChIKeyVUWDZFXNDQCRPQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.08
Rot. Bonds7

About 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine

1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63165498) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63165498
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C11H25N3O2S/c1-3-13(4-2)11-6-8-14(10-11)17(15,16)9-5-7-12/h11H,3-10,12H2,1-2H3
InChIKeyVUWDZFXNDQCRPQ-UHFFFAOYSA-N
XLogP0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
2-[3-(diethylamino)pyrrolidin-1-yl]sulfonylacetonitrile
CID 55219205
1-[(4-aminophenyl)methylsulfonyl]-N,N-diethylpyrrolidin-3-amine
CID 63168569
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
CID 62936725
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine (CID 63165498) is 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)CCCN)C1.
What is the InChIKey of 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is VUWDZFXNDQCRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-13(4-2)11-6-8-14(10-11)17(15,16)9-5-7-12/h11H,3-10,12H2,1-2H3.
What are the key properties of 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine?
1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 263.41 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63165498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).