(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide

C12H25N3O2S — CID 155056335

IUPAC(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide
SMILESCC1CC[C@@H](N(C)S(=O)(=O)N2C[C@H](C)[C@@H](N)C2)C1
InChIInChI=1S/C12H25N3O2S/c1-9-4-5-11(6-9)14(3)18(16,17)15-7-10(2)12(13)8-15/h9-12H,4-8,13H2,1-3H3/t9?,10-,11+,12-/m0/s1
InChIKeyMFWKFGHAYDXSPJ-YATPEIPISA-N
MW275.42 g/mol
LogP0.63
Rot. Bonds3

About (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide

(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide (PubChem CID 155056335) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide
PubChem CID155056335
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide
SMILESCC1CC[C@@H](N(C)S(=O)(=O)N2C[C@H](C)[C@@H](N)C2)C1
InChIInChI=1S/C12H25N3O2S/c1-9-4-5-11(6-9)14(3)18(16,17)15-7-10(2)12(13)8-15/h9-12H,4-8,13H2,1-3H3/t9?,10-,11+,12-/m0/s1
InChIKeyMFWKFGHAYDXSPJ-YATPEIPISA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide (CID 155056335) is (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide is CC1CC[C@@H](N(C)S(=O)(=O)N2C[C@H](C)[C@@H](N)C2)C1.
What is the InChIKey of (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide?
The InChIKey is MFWKFGHAYDXSPJ-YATPEIPISA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-9-4-5-11(6-9)14(3)18(16,17)15-7-10(2)12(13)8-15/h9-12H,4-8,13H2,1-3H3/t9?,10-,11+,12-/m0/s1.
What are the key properties of (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide?
(3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-N,4-dimethyl-N-[(1R)-3-methylcyclopentyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 155056335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).