tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate

C11H24N2O4S — CID 87723579

IUPACtert-butyl N-[4-(methanesulfonamido)pentyl]carbamate
SMILESCC(CCCNC(=O)OC(C)(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(13-18(5,15)16)7-6-8-12-10(14)17-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyHJRIMFFKPIEHHH-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.23
Rot. Bonds6

About tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate

tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate (PubChem CID 87723579) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methanesulfonamido)pentyl]carbamate
PubChem CID87723579
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nametert-butyl N-[4-(methanesulfonamido)pentyl]carbamate
SMILESCC(CCCNC(=O)OC(C)(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(13-18(5,15)16)7-6-8-12-10(14)17-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyHJRIMFFKPIEHHH-UHFFFAOYSA-N
XLogP1.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-methyl-5-(methylsulfonimidoyl)pentyl]carbamate
CID 139356978
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
CID 126816987
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate (CID 87723579) is tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate is CC(CCCNC(=O)OC(C)(C)C)NS(C)(=O)=O.
What is the InChIKey of tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate?
The InChIKey is HJRIMFFKPIEHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(13-18(5,15)16)7-6-8-12-10(14)17-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate?
tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate has a molecular weight of 280.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate is sourced from PubChem (CID 87723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).