1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride

C10H21ClN2OS — CID 119484101

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
SMILESCSCC(C)C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-8(7-14-2)10(13)12-4-3-9(5-11)6-12;/h8-9H,3-7,11H2,1-2H3;1H
InChIKeyNBERORRBQDPXTP-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.21
Rot. Bonds4

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride (PubChem CID 119484101) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
PubChem CID119484101
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
SMILESCSCC(C)C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-8(7-14-2)10(13)12-4-3-9(5-11)6-12;/h8-9H,3-7,11H2,1-2H3;1H
InChIKeyNBERORRBQDPXTP-UHFFFAOYSA-N
XLogP1.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119410118
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119483391
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119395667
1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119422924
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylsulfanylphenoxy)propan-1-one;hydrochloride
CID 119484203
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride (CID 119484101) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride is CSCC(C)C(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The InChIKey is NBERORRBQDPXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-8(7-14-2)10(13)12-4-3-9(5-11)6-12;/h8-9H,3-7,11H2,1-2H3;1H.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride is sourced from PubChem (CID 119484101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).