N-methyl-N-pyrrolidin-3-ylethanesulfinamide

C7H16N2OS — CID 130993708

IUPACN-methyl-N-pyrrolidin-3-ylethanesulfinamide
SMILESCCS(=O)N(C)C1CCNC1
InChIInChI=1S/C7H16N2OS/c1-3-11(10)9(2)7-4-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeySNMKKRCJNFNMQR-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.04
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-ylethanesulfinamide

N-methyl-N-pyrrolidin-3-ylethanesulfinamide (PubChem CID 130993708) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-ylethanesulfinamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-ylethanesulfinamide
PubChem CID130993708
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-methyl-N-pyrrolidin-3-ylethanesulfinamide
SMILESCCS(=O)N(C)C1CCNC1
InChIInChI=1S/C7H16N2OS/c1-3-11(10)9(2)7-4-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeySNMKKRCJNFNMQR-UHFFFAOYSA-N
XLogP-0.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-piperidin-3-ylmethanesulfinamide
CID 130905817
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
2-[methyl(pyrrolidin-3-yl)amino]ethanesulfinate
CID 84664322
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-ylethanesulfinamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-ylethanesulfinamide (CID 130993708) is N-methyl-N-pyrrolidin-3-ylethanesulfinamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-ylethanesulfinamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-ylethanesulfinamide is CCS(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-ylethanesulfinamide?
The InChIKey is SNMKKRCJNFNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-11(10)9(2)7-4-5-8-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-pyrrolidin-3-ylethanesulfinamide?
N-methyl-N-pyrrolidin-3-ylethanesulfinamide has a molecular weight of 176.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-ylethanesulfinamide is sourced from PubChem (CID 130993708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).