2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid

C11H20N2O4S — CID 55142771

IUPAC2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
SMILESO=C(O)C(CCN1CCS(=O)(=O)CC1)NC1CC1
InChIInChI=1S/C11H20N2O4S/c14-11(15)10(12-9-1-2-9)3-4-13-5-7-18(16,17)8-6-13/h9-10,12H,1-8H2,(H,14,15)
InChIKeyGQYFHUFBLBREPN-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.69
Rot. Bonds6

About 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid

2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid (PubChem CID 55142771) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
PubChem CID55142771
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
SMILESO=C(O)C(CCN1CCS(=O)(=O)CC1)NC1CC1
InChIInChI=1S/C11H20N2O4S/c14-11(15)10(12-9-1-2-9)3-4-13-5-7-18(16,17)8-6-13/h9-10,12H,1-8H2,(H,14,15)
InChIKeyGQYFHUFBLBREPN-UHFFFAOYSA-N
XLogP-0.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoic acid
CID 114083679
2-(cyclopropylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 63054189
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
CID 55144900
methyl 2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoate
CID 114083688
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
CID 63055271
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)butanoic acid
CID 63038808
2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid (CID 55142771) is 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid is O=C(O)C(CCN1CCS(=O)(=O)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
The InChIKey is GQYFHUFBLBREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(15)10(12-9-1-2-9)3-4-13-5-7-18(16,17)8-6-13/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid?
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid has a molecular weight of 276.36 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid is sourced from PubChem (CID 55142771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).