1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

C15H25N3O2S — CID 61473582

IUPAC1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H25N3O2S/c1-13(11-18-7-2-3-8-18)17-21(19,20)12-15-6-4-5-14(9-15)10-16/h4-6,9,13,17H,2-3,7-8,10-12,16H2,1H3
InChIKeyDZSNPRROXNGIGH-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.05
Rot. Bonds7

About 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 61473582) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID61473582
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H25N3O2S/c1-13(11-18-7-2-3-8-18)17-21(19,20)12-15-6-4-5-14(9-15)10-16/h4-6,9,13,17H,2-3,7-8,10-12,16H2,1H3
InChIKeyDZSNPRROXNGIGH-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 61462630
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 106079683
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
N-pentan-2-yl-1-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106046672

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 61473582) is 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is CC(CN1CCCC1)NS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is DZSNPRROXNGIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(11-18-7-2-3-8-18)17-21(19,20)12-15-6-4-5-14(9-15)10-16/h4-6,9,13,17H,2-3,7-8,10-12,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 61473582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).