N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide

C16H28N4O3S — CID 146119130

IUPACN-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1CC1CCCC1
InChIInChI=1S/C16H28N4O3S/c1-23-12-16-7-15(11-19(16)9-13-5-3-4-6-13)20-10-14(8-17-20)18-24(2,21)22/h8,10,13,15-16,18H,3-7,9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyVHBOPGUKXYPWMA-HOTGVXAUSA-N
MW356.49 g/mol
LogP1.71
Rot. Bonds7

About N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide

N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide (PubChem CID 146119130) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
PubChem CID146119130
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC NameN-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1CC1CCCC1
InChIInChI=1S/C16H28N4O3S/c1-23-12-16-7-15(11-19(16)9-13-5-3-4-6-13)20-10-14(8-17-20)18-24(2,21)22/h8,10,13,15-16,18H,3-7,9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyVHBOPGUKXYPWMA-HOTGVXAUSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide (CID 146119130) is N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide is COC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1CC1CCCC1.
What is the InChIKey of N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is VHBOPGUKXYPWMA-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-23-12-16-7-15(11-19(16)9-13-5-3-4-6-13)20-10-14(8-17-20)18-24(2,21)22/h8,10,13,15-16,18H,3-7,9,11-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 146119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).