N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide

C10H20N2O4S — CID 110126662

IUPACN-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide
SMILESCCS(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-17(15,16)12-6-4-9(11-8(2)13)10(14)5-7-12/h9-10,14H,3-7H2,1-2H3,(H,11,13)/t9-,10-/m0/s1
InChIKeyYUIZKWRLXHPFPC-UWVGGRQHSA-N
MW264.35 g/mol
LogP-0.70
Rot. Bonds3

About N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide

N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide (PubChem CID 110126662) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide
PubChem CID110126662
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide
SMILESCCS(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-17(15,16)12-6-4-9(11-8(2)13)10(14)5-7-12/h9-10,14H,3-7H2,1-2H3,(H,11,13)/t9-,10-/m0/s1
InChIKeyYUIZKWRLXHPFPC-UWVGGRQHSA-N
XLogP-0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide?
The IUPAC name of N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide (CID 110126662) is N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide.
What is the SMILES notation for N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide?
The canonical SMILES for N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide is CCS(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1.
What is the InChIKey of N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide?
The InChIKey is YUIZKWRLXHPFPC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-17(15,16)12-6-4-9(11-8(2)13)10(14)5-7-12/h9-10,14H,3-7H2,1-2H3,(H,11,13)/t9-,10-/m0/s1.
What are the key properties of N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide?
N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide has a molecular weight of 264.35 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5S)-1-ethylsulfonyl-5-hydroxyazepan-4-yl]acetamide is sourced from PubChem (CID 110126662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).