tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate

C14H29N3O4S2 — CID 102730289

IUPACtert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S2/c1-14(2,3)21-13(18)16-6-5-11(9-15)17-7-8-22-10-12(17)23(4,19)20/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCTFWMEVFCNHART-UHFFFAOYSA-N
MW367.54 g/mol
LogP0.65
Rot. Bonds6

About tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate

tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate (PubChem CID 102730289) has the molecular formula C14H29N3O4S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
PubChem CID102730289
Molecular FormulaC14H29N3O4S2
Molecular Weight367.54 g/mol
Exact Mass367.16
IUPAC Nametert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S2/c1-14(2,3)21-13(18)16-6-5-11(9-15)17-7-8-22-10-12(17)23(4,19)20/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCTFWMEVFCNHART-UHFFFAOYSA-N
XLogP0.65
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]carbamate
CID 107241345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate (CID 102730289) is tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(CN)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate?
The InChIKey is CTFWMEVFCNHART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S2/c1-14(2,3)21-13(18)16-6-5-11(9-15)17-7-8-22-10-12(17)23(4,19)20/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate?
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate has a molecular weight of 367.54 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate is sourced from PubChem (CID 102730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).