[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol

C14H32N2O3S — CID 144923798

IUPAC[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol
SMILESCC(C)(C)S.CCN(C)COC(C)(C)CCNC(=O)O
InChIInChI=1S/C10H22N2O3.C4H10S/c1-5-12(4)8-15-10(2,3)6-7-11-9(13)14;1-4(2,3)5/h11H,5-8H2,1-4H3,(H,13,14);5H,1-3H3
InChIKeyQHFWFBNKWFAKPH-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.06
Rot. Bonds7

About [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol

[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol (PubChem CID 144923798) has the molecular formula C14H32N2O3S and a molecular weight of 308.49 g/mol. Its IUPAC name is [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol.

Molecular Properties

Compound Name[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol
PubChem CID144923798
Molecular FormulaC14H32N2O3S
Molecular Weight308.49 g/mol
Exact Mass308.21
IUPAC Name[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol
SMILESCC(C)(C)S.CCN(C)COC(C)(C)CCNC(=O)O
InChIInChI=1S/C10H22N2O3.C4H10S/c1-5-12(4)8-15-10(2,3)6-7-11-9(13)14;1-4(2,3)5/h11H,5-8H2,1-4H3,(H,13,14);5H,1-3H3
InChIKeyQHFWFBNKWFAKPH-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
2-[4,7-bis(carboxymethyl)-10-[2-[(3-ethoxy-3-methylbutyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 129273950
ethane;propylcarbamic acid
CID 155733503
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
butylcarbamic acid
CID 3026651

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol?
The IUPAC name of [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol (CID 144923798) is [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol.
What is the SMILES notation for [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol?
The canonical SMILES for [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol is CC(C)(C)S.CCN(C)COC(C)(C)CCNC(=O)O.
What is the InChIKey of [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol?
The InChIKey is QHFWFBNKWFAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3.C4H10S/c1-5-12(4)8-15-10(2,3)6-7-11-9(13)14;1-4(2,3)5/h11H,5-8H2,1-4H3,(H,13,14);5H,1-3H3.
What are the key properties of [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol?
[3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol has a molecular weight of 308.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(methyl)amino]methoxy]-3-methylbutyl]carbamic acid;2-methylpropane-2-thiol is sourced from PubChem (CID 144923798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).