N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide

C14H24N4O3S — CID 86283409

IUPACN-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOCn1ccnc1CN1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-21-10-18-6-5-15-14(18)9-17-7-12(11-3-4-11)13(8-17)16-22(2,19)20/h5-6,11-13,16H,3-4,7-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyLAEISKSIBIITRI-OLZOCXBDSA-N
MW328.44 g/mol
LogP0.25
Rot. Bonds7

About N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 86283409) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID86283409
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCOCn1ccnc1CN1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1
InChIInChI=1S/C14H24N4O3S/c1-21-10-18-6-5-15-14(18)9-17-7-12(11-3-4-11)13(8-17)16-22(2,19)20/h5-6,11-13,16H,3-4,7-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyLAEISKSIBIITRI-OLZOCXBDSA-N
XLogP0.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide (CID 86283409) is N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide is COCn1ccnc1CN1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LAEISKSIBIITRI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-21-10-18-6-5-15-14(18)9-17-7-12(11-3-4-11)13(8-17)16-22(2,19)20/h5-6,11-13,16H,3-4,7-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[[1-(methoxymethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86283409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).