tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate

C14H30N2O4S — CID 103913962

IUPACtert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CS(C)(=O)=O)NCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H30N2O4S/c1-10(2)12(16-13(17)20-14(4,5)6)8-15-11(3)9-21(7,18)19/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyRGSDGWUKMUKLSK-UHFFFAOYSA-N
MW322.47 g/mol
LogP1.56
Rot. Bonds7

About tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate (PubChem CID 103913962) has the molecular formula C14H30N2O4S and a molecular weight of 322.47 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
PubChem CID103913962
Molecular FormulaC14H30N2O4S
Molecular Weight322.47 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CS(C)(=O)=O)NCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H30N2O4S/c1-10(2)12(16-13(17)20-14(4,5)6)8-15-11(3)9-21(7,18)19/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyRGSDGWUKMUKLSK-UHFFFAOYSA-N
XLogP1.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate (CID 103913962) is tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate is CC(CS(C)(=O)=O)NCC(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is RGSDGWUKMUKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S/c1-10(2)12(16-13(17)20-14(4,5)6)8-15-11(3)9-21(7,18)19/h10-12,15H,8-9H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 322.47 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 103913962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).