N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide

C7H17N3O2S — CID 106333768

IUPACN-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCNC1
InChIInChI=1S/C7H17N3O2S/c1-8-13(11,12)5-4-10-7-2-3-9-6-7/h7-10H,2-6H2,1H3
InChIKeyAVSSHWRAYZGOFH-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.51
Rot. Bonds5

About N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide

N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide (PubChem CID 106333768) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
PubChem CID106333768
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC NameN-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCNC1
InChIInChI=1S/C7H17N3O2S/c1-8-13(11,12)5-4-10-7-2-3-9-6-7/h7-10H,2-6H2,1H3
InChIKeyAVSSHWRAYZGOFH-UHFFFAOYSA-N
XLogP-1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropylsulfonylethyl)pyrrolidin-3-amine
CID 84684022
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide (CID 106333768) is N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide is CNS(=O)(=O)CCNC1CCNC1.
What is the InChIKey of N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide?
The InChIKey is AVSSHWRAYZGOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-8-13(11,12)5-4-10-7-2-3-9-6-7/h7-10H,2-6H2,1H3.
What are the key properties of N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide?
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide has a molecular weight of 207.30 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide is sourced from PubChem (CID 106333768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).