tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate

C12H25N3O2S — CID 102729505

IUPACtert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCSCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2,3)17-11(16)14-9-10(8-13)15-4-6-18-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZETGNFLPAFMUEF-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.89
Rot. Bonds4

About tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate

tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate (PubChem CID 102729505) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
PubChem CID102729505
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Nametert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCSCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2,3)17-11(16)14-9-10(8-13)15-4-6-18-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZETGNFLPAFMUEF-UHFFFAOYSA-N
XLogP0.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
CID 102730031
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
CID 102730289
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate (CID 102729505) is tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(CN)N1CCSCC1.
What is the InChIKey of tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate?
The InChIKey is ZETGNFLPAFMUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2,3)17-11(16)14-9-10(8-13)15-4-6-18-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate?
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate has a molecular weight of 275.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 102729505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).