2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol

C14H28N2O3S — CID 102887325

IUPAC2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCS(=O)(=O)CC1C)C1CC1
InChIInChI=1S/C14H28N2O3S/c1-11(2)15-14(10-17,13-4-5-13)9-16-6-7-20(18,19)8-12(16)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyFDJUFTJPFNNILX-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.24
Rot. Bonds6

About 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 102887325) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID102887325
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCS(=O)(=O)CC1C)C1CC1
InChIInChI=1S/C14H28N2O3S/c1-11(2)15-14(10-17,13-4-5-13)9-16-6-7-20(18,19)8-12(16)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyFDJUFTJPFNNILX-UHFFFAOYSA-N
XLogP0.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol with MolForge

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Related Compounds

2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64791236
2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102887301
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886205
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64826996
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanenitrile
CID 102886083
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol (CID 102887325) is 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN1CCS(=O)(=O)CC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is FDJUFTJPFNNILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11(2)15-14(10-17,13-4-5-13)9-16-6-7-20(18,19)8-12(16)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 102887325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).