N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

C15H29N3O4S — CID 124726941

IUPACN-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C15H29N3O4S/c1-10-12(15(2,3)13(10)22-4)17-14(19)18-7-5-11(6-8-18)9-23(16,20)21/h10-13H,5-9H2,1-4H3,(H,17,19)(H2,16,20,21)/t10-,12-,13+/m0/s1
InChIKeyCLAHKBHCUMKXDZ-WCFLWFBJSA-N
MW347.48 g/mol
LogP0.76
Rot. Bonds4

About N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 124726941) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID124726941
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C15H29N3O4S/c1-10-12(15(2,3)13(10)22-4)17-14(19)18-7-5-11(6-8-18)9-23(16,20)21/h10-13H,5-9H2,1-4H3,(H,17,19)(H2,16,20,21)/t10-,12-,13+/m0/s1
InChIKeyCLAHKBHCUMKXDZ-WCFLWFBJSA-N
XLogP0.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (CID 124726941) is N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is CO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1(C)C.
What is the InChIKey of N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is CLAHKBHCUMKXDZ-WCFLWFBJSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-10-12(15(2,3)13(10)22-4)17-14(19)18-7-5-11(6-8-18)9-23(16,20)21/h10-13H,5-9H2,1-4H3,(H,17,19)(H2,16,20,21)/t10-,12-,13+/m0/s1.
What are the key properties of N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).