N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C9H19ClN2OS — CID 119553749

IUPACN-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCSCCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-11(8-3-5-10-7-8)9(12)4-6-13-2;/h8,10H,3-7H2,1-2H3;1H
InChIKeySDXMYRQZPNOPHA-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.98
Rot. Bonds4

About N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119553749) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119553749
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC NameN-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCSCCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-11(8-3-5-10-7-8)9(12)4-6-13-2;/h8,10H,3-7H2,1-2H3;1H
InChIKeySDXMYRQZPNOPHA-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-methyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63642298
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119553749) is N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CSCCC(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is SDXMYRQZPNOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-11(8-3-5-10-7-8)9(12)4-6-13-2;/h8,10H,3-7H2,1-2H3;1H.
What are the key properties of N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119553749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).