(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine

C9H21N3O2S — CID 58799931

IUPAC(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCNS1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-4-5-11-15(12,13)14/h8,11H,4-7,10H2,1-3H3/t8-/m1/s1
InChIKeyVTZLZUZSDPNACU-MRVPVSSYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds2

About (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine

(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 58799931) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID58799931
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)[C@H](N)CN1CCCNS1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-4-5-11-15(12,13)14/h8,11H,4-7,10H2,1-3H3/t8-/m1/s1
InChIKeyVTZLZUZSDPNACU-MRVPVSSYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride
CID 57223070
N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
CID 57276779
(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine
CID 58799878
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
CID 58821412
(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
CID 58821505
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide
CID 58821531
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821546
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821561
(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821568
N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide
CID 58821706
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
(2S)-3,3-dimethyl-1-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-propan-2-ylbutan-2-amine
CID 59677634

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine (CID 58799931) is (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine is CC(C)(C)[C@H](N)CN1CCCNS1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is VTZLZUZSDPNACU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2,3)8(10)7-12-6-4-5-11-15(12,13)14/h8,11H,4-7,10H2,1-3H3/t8-/m1/s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine?
(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 235.35 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 58799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).