N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide

C10H21N3O2S2 — CID 43296839

IUPACN-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H21N3O2S2/c1-12(10-3-8-16-9-10)17(14,15)13-6-2-4-11-5-7-13/h10-11H,2-9H2,1H3
InChIKeyIUCNASSHKLEYDM-UHFFFAOYSA-N
MW279.43 g/mol
LogP-0.04
Rot. Bonds3

About N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide

N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide (PubChem CID 43296839) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide
PubChem CID43296839
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC NameN-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H21N3O2S2/c1-12(10-3-8-16-9-10)17(14,15)13-6-2-4-11-5-7-13/h10-11H,2-9H2,1H3
InChIKeyIUCNASSHKLEYDM-UHFFFAOYSA-N
XLogP-0.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide (CID 43296839) is N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide is CN(C1CCSC1)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide?
The InChIKey is IUCNASSHKLEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-12(10-3-8-16-9-10)17(14,15)13-6-2-4-11-5-7-13/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide?
N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide has a molecular weight of 279.43 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 43296839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).